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Naphthalenes

Polycyclic aromatic hydrocarbon compounds that consist of ten carbon atoms and eight hydrogen atoms fused into two benzene rings; it is the simplest polycyclic aromatic hydrocarbon.
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1

alpha-Naphtholbenzein

CAS: 145-50-6 Molecular Formula: C27H18O2 Molecular Weight (g/mol): 374.439 MDL Number: MFCD00078492 InChI Key: VDDWRTZCUJCDJM-PNHLSOANSA-N PubChem CID: 5941340 IUPAC Name: (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one SMILES: C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O

EDGE
PubChem CID 5941340
CAS 145-50-6
Molecular Weight (g/mol) 374.439
MDL Number MFCD00078492
SMILES C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O
IUPAC Name (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
InChI Key VDDWRTZCUJCDJM-PNHLSOANSA-N
Molecular Formula C27H18O2
2

alpha-Naphtholphthalein

CAS: 596-01-0 Molecular Formula: C28H18O4 Molecular Weight (g/mol): 418.448 MDL Number: MFCD00036202 InChI Key: HQHBAGKIEAOSNM-UHFFFAOYSA-N Synonym: alpha-naphtholphthalein,naphtholphthalein,1-naphtholphthalein,a-naphtholphthalein,3,3-bis 4-hydroxynaphthalen-1-yl isobenzofuran-1 3h-one,unii-2qeg1706nn,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-1-naphthalenyl,naphtholphthalein blue,alpha-naphtholphtalein,3,3-bis 4-hydroxy-1-naphthyl phthalide PubChem CID: 68993 IUPAC Name: 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one SMILES: C1=CC=C2C(=C1)C(=CC=C2O)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C6=CC=CC=C65)O

PubChem CID 68993
CAS 596-01-0
Molecular Weight (g/mol) 418.448
MDL Number MFCD00036202
SMILES C1=CC=C2C(=C1)C(=CC=C2O)C3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C6=CC=CC=C65)O
Synonym alpha-naphtholphthalein,naphtholphthalein,1-naphtholphthalein,a-naphtholphthalein,3,3-bis 4-hydroxynaphthalen-1-yl isobenzofuran-1 3h-one,unii-2qeg1706nn,1 3h-isobenzofuranone, 3,3-bis 4-hydroxy-1-naphthalenyl,naphtholphthalein blue,alpha-naphtholphtalein,3,3-bis 4-hydroxy-1-naphthyl phthalide
IUPAC Name 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
InChI Key HQHBAGKIEAOSNM-UHFFFAOYSA-N
Molecular Formula C28H18O4
3

Thermo Scientific Chemicals alpha-Naphtholbenzein

CAS: 145-50-6 Molecular Formula: C27H18O2 Molecular Weight (g/mol): 374.44 InChI Key: VDDWRTZCUJCDJM-PNHLSOANSA-N PubChem CID: 5941340 IUPAC Name: (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one SMILES: C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O

PubChem CID 5941340
CAS 145-50-6
Molecular Weight (g/mol) 374.44
SMILES C1=CC=C(C=C1)C(=C2C=CC(=O)C3=CC=CC=C23)C4=CC=C(C5=CC=CC=C54)O
IUPAC Name (4Z)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
InChI Key VDDWRTZCUJCDJM-PNHLSOANSA-N
Molecular Formula C27H18O2
4

α-Naphtholbenzion, MP Biomedicals™

CAS: 6948-88-5 Molecular Formula: C27H20O3 Molecular Weight (g/mol): 392.454 InChI Key: OUYLDJXFDLBCTQ-UHFFFAOYSA-N Synonym: bis 4-hydroxy-1-naphthyl phenylmethanol,4,4'-hydroxy phenyl methylene bis naphthalen-1-ol,4-hydroxy-alpha-4-hydroxynaphthyl-alpha-phenylnaphthalene-1-methanol,4-hydroxy-4-hydroxynaphthalen-1-yl-phenyl-methyl naphthalen-1-ol,bis 4-hydroxynaphthyl phenylmethan-1-ol,4,4'-hydroxy phenyl methylene di 1-naphthol,4,4-alpha-hydroxybenzylidene di-1-naphthol,bis-4-hydroxy-1 naphthyl-phenyl-methanol,4,4-hydroxy phenyl methylene bis naphthalen-1-ol,4-hydroxy 4-hydroxynaphthalen-1-yl benzyl naphthalen-1-ol PubChem CID: 81382 IUPAC Name: 4-[hydroxy-(4-hydroxynaphthalen-1-yl)-phenylmethyl]naphthalen-1-ol SMILES: C1=CC=C(C=C1)C(C2=CC=C(C3=CC=CC=C32)O)(C4=CC=C(C5=CC=CC=C54)O)O

PubChem CID 81382
CAS 6948-88-5
Molecular Weight (g/mol) 392.454
SMILES C1=CC=C(C=C1)C(C2=CC=C(C3=CC=CC=C32)O)(C4=CC=C(C5=CC=CC=C54)O)O
Synonym bis 4-hydroxy-1-naphthyl phenylmethanol,4,4'-hydroxy phenyl methylene bis naphthalen-1-ol,4-hydroxy-alpha-4-hydroxynaphthyl-alpha-phenylnaphthalene-1-methanol,4-hydroxy-4-hydroxynaphthalen-1-yl-phenyl-methyl naphthalen-1-ol,bis 4-hydroxynaphthyl phenylmethan-1-ol,4,4'-hydroxy phenyl methylene di 1-naphthol,4,4-alpha-hydroxybenzylidene di-1-naphthol,bis-4-hydroxy-1 naphthyl-phenyl-methanol,4,4-hydroxy phenyl methylene bis naphthalen-1-ol,4-hydroxy 4-hydroxynaphthalen-1-yl benzyl naphthalen-1-ol
IUPAC Name 4-[hydroxy-(4-hydroxynaphthalen-1-yl)-phenylmethyl]naphthalen-1-ol
InChI Key OUYLDJXFDLBCTQ-UHFFFAOYSA-N
Molecular Formula C27H20O3
5

1,3-Dihydroxynaphthalene, 98%

CAS: 132-86-5 Molecular Formula: C10H8O2 MDL Number: MFCD00003965 InChI Key: XOOMNEFVDUTJPP-UHFFFAOYSA-N Synonym: 1,3-naphthalenediol,1,3-dihydroxynaphthalene,naphthoresorcinol,naphthoresoucinol,3-hydroxybenzocyclohexadien-1-one,naphthoresorcin,ccris 7896,unii-5x457yew8y,acmc-1bvwb,naphthalenediol-1,3 PubChem CID: 8601 IUPAC Name: naphthalene-1,3-diol

PubChem CID 8601
CAS 132-86-5
MDL Number MFCD00003965
Synonym 1,3-naphthalenediol,1,3-dihydroxynaphthalene,naphthoresorcinol,naphthoresoucinol,3-hydroxybenzocyclohexadien-1-one,naphthoresorcin,ccris 7896,unii-5x457yew8y,acmc-1bvwb,naphthalenediol-1,3
IUPAC Name naphthalene-1,3-diol
InChI Key XOOMNEFVDUTJPP-UHFFFAOYSA-N
Molecular Formula C10H8O2
6

3-Amino-2-naphthoic acid, 97%

CAS: 5959-52-4 Molecular Formula: C11H9NO2 MDL Number: MFCD00004115 InChI Key: XFXOLBNQYFRSLQ-UHFFFAOYSA-N Synonym: 3-amino-2-naphthoic acid,2-amino-3-naphthoic acid,3-aminoisonaphthoic acid,2-naphthalenecarboxylic acid, 3-amino,2-amino-3-carboxynaphthalene,2-naphthoic acid, 3-amino,3-amino-2-naphthalenecarboxylic acid,unii-iv5z0phl5d,iv5z0phl5d,3-amino-naphthalene-2-carboxylic acid PubChem CID: 22244 IUPAC Name: 3-aminonaphthalene-2-carboxylic acid

PubChem CID 22244
CAS 5959-52-4
MDL Number MFCD00004115
Synonym 3-amino-2-naphthoic acid,2-amino-3-naphthoic acid,3-aminoisonaphthoic acid,2-naphthalenecarboxylic acid, 3-amino,2-amino-3-carboxynaphthalene,2-naphthoic acid, 3-amino,3-amino-2-naphthalenecarboxylic acid,unii-iv5z0phl5d,iv5z0phl5d,3-amino-naphthalene-2-carboxylic acid
IUPAC Name 3-aminonaphthalene-2-carboxylic acid
InChI Key XFXOLBNQYFRSLQ-UHFFFAOYSA-N
Molecular Formula C11H9NO2
7

Vitamin K{1}

CAS: 84-80-0 Molecular Formula: C31H46O2 Molecular Weight (g/mol): 450.707 MDL Number: MFCD00214063 InChI Key: MBWXNTAXLNYFJB-NKFFZRIASA-N Synonym: vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone PubChem CID: 5284607 ChEBI: CHEBI:18067 IUPAC Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C

EDGE
PubChem CID 5284607
CAS 84-80-0
Molecular Weight (g/mol) 450.707
ChEBI CHEBI:18067
MDL Number MFCD00214063
SMILES CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
Synonym vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone
IUPAC Name 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
InChI Key MBWXNTAXLNYFJB-NKFFZRIASA-N
Molecular Formula C31H46O2
8

1-Chloronaphthalene, 85%, technical, remainder 2-Chloronaphthalene

CAS: 90-13-1 Molecular Formula: C10H7Cl Molecular Weight (g/mol): 162.62 InChI Key: JTPNRXUCIXHOKM-UHFFFAOYSA-N Synonym: alpha-chloronaphthalene,naphthalene, 1-chloro,1-naphthyl chloride,chloronaphthalene,1-chloro-naphthalene,alpha-naphthyl chloride,1-chlornaftalen,1-chloro naphthalene,alpha-chlornaphthalene,.alpha.-chloronaphthalene PubChem CID: 7003 IUPAC Name: 1-chloronaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2Cl

PubChem CID 7003
CAS 90-13-1
Molecular Weight (g/mol) 162.62
SMILES C1=CC=C2C(=C1)C=CC=C2Cl
Synonym alpha-chloronaphthalene,naphthalene, 1-chloro,1-naphthyl chloride,chloronaphthalene,1-chloro-naphthalene,alpha-naphthyl chloride,1-chlornaftalen,1-chloro naphthalene,alpha-chlornaphthalene,.alpha.-chloronaphthalene
IUPAC Name 1-chloronaphthalene
InChI Key JTPNRXUCIXHOKM-UHFFFAOYSA-N
Molecular Formula C10H7Cl
9

1-Chloronaphthalene, tech. 85%, remainder 2-chloronaphthalene

CAS: 90-13-1 Molecular Formula: C10H7Cl Molecular Weight (g/mol): 162.616 MDL Number: MFCD00003874 InChI Key: JTPNRXUCIXHOKM-UHFFFAOYSA-N Synonym: alpha-chloronaphthalene,naphthalene, 1-chloro,1-naphthyl chloride,chloronaphthalene,1-chloro-naphthalene,alpha-naphthyl chloride,1-chlornaftalen,1-chloro naphthalene,alpha-chlornaphthalene,.alpha.-chloronaphthalene PubChem CID: 7003 IUPAC Name: 1-chloronaphthalene SMILES: C1=CC=C2C(=C1)C=CC=C2Cl

PubChem CID 7003
CAS 90-13-1
Molecular Weight (g/mol) 162.616
MDL Number MFCD00003874
SMILES C1=CC=C2C(=C1)C=CC=C2Cl
Synonym alpha-chloronaphthalene,naphthalene, 1-chloro,1-naphthyl chloride,chloronaphthalene,1-chloro-naphthalene,alpha-naphthyl chloride,1-chlornaftalen,1-chloro naphthalene,alpha-chlornaphthalene,.alpha.-chloronaphthalene
IUPAC Name 1-chloronaphthalene
InChI Key JTPNRXUCIXHOKM-UHFFFAOYSA-N
Molecular Formula C10H7Cl
10

1-Naphthoic acid, 98%

CAS: 86-55-5 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 MDL Number: MFCD00004007 InChI Key: LNETULKMXZVUST-UHFFFAOYSA-N Synonym: 1-naphthoic acid,1-naphthalenecarboxylic acid,1-carboxynaphthalene,naphthoic acid,alpha-naphthoic acid,naphthalenecarboxylic acid,carboxynaphthalene,alpha-naphthylcarboxylic acid,naphthalene-alpha-carboxylic acid,unii-2niv4o66bh PubChem CID: 6847 ChEBI: CHEBI:36466 IUPAC Name: naphthalene-1-carboxylic acid SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)O

PubChem CID 6847
CAS 86-55-5
Molecular Weight (g/mol) 172.183
ChEBI CHEBI:36466
MDL Number MFCD00004007
SMILES C1=CC=C2C(=C1)C=CC=C2C(=O)O
Synonym 1-naphthoic acid,1-naphthalenecarboxylic acid,1-carboxynaphthalene,naphthoic acid,alpha-naphthoic acid,naphthalenecarboxylic acid,carboxynaphthalene,alpha-naphthylcarboxylic acid,naphthalene-alpha-carboxylic acid,unii-2niv4o66bh
IUPAC Name naphthalene-1-carboxylic acid
InChI Key LNETULKMXZVUST-UHFFFAOYSA-N
Molecular Formula C11H8O2
11

Naphthalene-1-sulfonic acid sodium salt, 98% (dry wt.), water <3.5%

CAS: 130-14-3 Molecular Formula: C10H7NaO3S Molecular Weight (g/mol): 230.213 MDL Number: MFCD00064964 InChI Key: HIEHAIZHJZLEPQ-UHFFFAOYSA-M Synonym: sodium 1-naphthalenesulfonate,sodium naphthalene-1-sulfonate,1-naphthalenesulfonic acid sodium salt,unii-mai7v3c3pn,sodium naphthalenesulphonate,sodium naphthalene sulfonate,1-naphthalenesulfonic acid, sodium salt,alpha salt,sodium alpha-naphthalenesulfonate,mai7v3c3pn PubChem CID: 23661867 IUPAC Name: sodium;naphthalene-1-sulfonate SMILES: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Na+]

PubChem CID 23661867
CAS 130-14-3
Molecular Weight (g/mol) 230.213
MDL Number MFCD00064964
SMILES C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)[O-].[Na+]
Synonym sodium 1-naphthalenesulfonate,sodium naphthalene-1-sulfonate,1-naphthalenesulfonic acid sodium salt,unii-mai7v3c3pn,sodium naphthalenesulphonate,sodium naphthalene sulfonate,1-naphthalenesulfonic acid, sodium salt,alpha salt,sodium alpha-naphthalenesulfonate,mai7v3c3pn
IUPAC Name sodium;naphthalene-1-sulfonate
InChI Key HIEHAIZHJZLEPQ-UHFFFAOYSA-M
Molecular Formula C10H7NaO3S
12

1-Naphthoic acid, 98%

CAS: 86-55-5 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00004007 InChI Key: LNETULKMXZVUST-UHFFFAOYSA-N Synonym: 1-naphthoic acid,1-naphthalenecarboxylic acid,1-carboxynaphthalene,naphthoic acid,alpha-naphthoic acid,naphthalenecarboxylic acid,carboxynaphthalene,alpha-naphthylcarboxylic acid,naphthalene-alpha-carboxylic acid,unii-2niv4o66bh PubChem CID: 6847 ChEBI: CHEBI:36466 IUPAC Name: naphthalene-1-carboxylic acid SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)O

PubChem CID 6847
CAS 86-55-5
Molecular Weight (g/mol) 172.18
ChEBI CHEBI:36466
MDL Number MFCD00004007
SMILES C1=CC=C2C(=C1)C=CC=C2C(=O)O
Synonym 1-naphthoic acid,1-naphthalenecarboxylic acid,1-carboxynaphthalene,naphthoic acid,alpha-naphthoic acid,naphthalenecarboxylic acid,carboxynaphthalene,alpha-naphthylcarboxylic acid,naphthalene-alpha-carboxylic acid,unii-2niv4o66bh
IUPAC Name naphthalene-1-carboxylic acid
InChI Key LNETULKMXZVUST-UHFFFAOYSA-N
Molecular Formula C11H8O2
13

4-Chloro-1-naphthol, 97%

CAS: 604-44-4 Molecular Formula: C10H7ClO Molecular Weight (g/mol): 178.62 MDL Number: MFCD00003974 InChI Key: LVSPDZAGCBEQAV-UHFFFAOYSA-N Synonym: 4-chloro-1-naphthol,1-chloro-4-hydroxynaphthalene,1-naphthalenol, 4-chloro,4-chloro-1-naphthalenol,1-naphthol, 4-chloro,4-chloronaphthol,4-chloro-.alpha.-naphthol,4-chloro-1-hydroxynaphthalene,4-chloro-alpha-naphthol,acmc-20amm7 PubChem CID: 11787 IUPAC Name: 4-chloronaphthalen-1-ol SMILES: C1=CC=C2C(=C1)C(=CC=C2Cl)O

PubChem CID 11787
CAS 604-44-4
Molecular Weight (g/mol) 178.62
MDL Number MFCD00003974
SMILES C1=CC=C2C(=C1)C(=CC=C2Cl)O
Synonym 4-chloro-1-naphthol,1-chloro-4-hydroxynaphthalene,1-naphthalenol, 4-chloro,4-chloro-1-naphthalenol,1-naphthol, 4-chloro,4-chloronaphthol,4-chloro-.alpha.-naphthol,4-chloro-1-hydroxynaphthalene,4-chloro-alpha-naphthol,acmc-20amm7
IUPAC Name 4-chloronaphthalen-1-ol
InChI Key LVSPDZAGCBEQAV-UHFFFAOYSA-N
Molecular Formula C10H7ClO
14

1-Naphthoic hydrazide, 98+%

CAS: 43038-45-5 Molecular Formula: C11H10N2O Molecular Weight (g/mol): 186.214 MDL Number: MFCD00016804 InChI Key: VMFUMDXVTKTZQY-UHFFFAOYSA-N Synonym: 1-naphthohydrazide,1-naphthhydrazide,1-naphthalenecarbohydrazide,1-naphthalenecarboxylic acid, hydrazide,1-naphthoic hydrazide,.alpha.-naphthoylhydrazine,naphthalene-1-carboxylic acid hydrazide,naphthalenecarbohydrazide,a-naphthoylhydrazine,1-naphthohydrazide # PubChem CID: 72689 IUPAC Name: naphthalene-1-carbohydrazide SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)NN

PubChem CID 72689
CAS 43038-45-5
Molecular Weight (g/mol) 186.214
MDL Number MFCD00016804
SMILES C1=CC=C2C(=C1)C=CC=C2C(=O)NN
Synonym 1-naphthohydrazide,1-naphthhydrazide,1-naphthalenecarbohydrazide,1-naphthalenecarboxylic acid, hydrazide,1-naphthoic hydrazide,.alpha.-naphthoylhydrazine,naphthalene-1-carboxylic acid hydrazide,naphthalenecarbohydrazide,a-naphthoylhydrazine,1-naphthohydrazide #
IUPAC Name naphthalene-1-carbohydrazide
InChI Key VMFUMDXVTKTZQY-UHFFFAOYSA-N
Molecular Formula C11H10N2O
15

Vitamin K1, MP Biomedicals™

CAS: 84-80-0 Molecular Formula: C31H46O2 Molecular Weight (g/mol): 450.707 InChI Key: MBWXNTAXLNYFJB-NKFFZRIASA-N Synonym: vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone PubChem CID: 5284607 ChEBI: CHEBI:18067 IUPAC Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C

PubChem CID 5284607
CAS 84-80-0
Molecular Weight (g/mol) 450.707
ChEBI CHEBI:18067
SMILES CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
Synonym vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone
IUPAC Name 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
InChI Key MBWXNTAXLNYFJB-NKFFZRIASA-N
Molecular Formula C31H46O2