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Organic nitroso compounds

Organic compounds that contain one or more nitroso functional groups; nitroso consists of a nitrogen atom bonded to an oxygen atom via a double bond in the following structure: R-N=O, where R is a carbon or nitrogen atom.

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1

Nitrobenzene, 100.0%, 99.0% purity, For GC analysis, MP Biomedicals™

CAS: 98-95-3 Molecular Formula: C6H5NO2 Molecular Weight (g/mol): 123.11 InChI Key: LQNUZADURLCDLV-UHFFFAOYSA-N Synonym: benzene, nitro,nitro-benzene,unii-zi9w9e8g2z,nob,zi9w9e8g2z,chembl98797,acmc-209m6j,nitroso benzene,keto-aniline,nitrosobenzene PubChem CID: 11473 ChEBI: CHEBI:27986 IUPAC Name: nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC=C1

PubChem CID 11473
CAS 98-95-3
Molecular Weight (g/mol) 123.11
ChEBI CHEBI:27986
SMILES [O-][N+](=O)C1=CC=CC=C1
Synonym benzene, nitro,nitro-benzene,unii-zi9w9e8g2z,nob,zi9w9e8g2z,chembl98797,acmc-209m6j,nitroso benzene,keto-aniline,nitrosobenzene
IUPAC Name nitrobenzene
InChI Key LQNUZADURLCDLV-UHFFFAOYSA-N
Molecular Formula C6H5NO2
2

tert-Butyl nitrite, 90%, pure

CAS: 540-80-7 InChI Key: IOGXOCVLYRDXLW-UHFFFAOYSA-N Synonym: t-butyl nitrite,1,1-dimethylethyl nitrite,tert-butylnitrite,nitrous acid, 1,1-dimethylethyl ester,unii-4780h7u8lu,ccris 2098,alpha,alpha-dimethylethyl nitrite,nitrous acid, t-butyl ester,2-methyl-2-propylnitrit,ch3 3cono PubChem CID: 10906 IUPAC Name: tert-butyl nitrite SMILES: CC(C)(C)ON=O

PubChem CID 10906
CAS 540-80-7
SMILES CC(C)(C)ON=O
Synonym t-butyl nitrite,1,1-dimethylethyl nitrite,tert-butylnitrite,nitrous acid, 1,1-dimethylethyl ester,unii-4780h7u8lu,ccris 2098,alpha,alpha-dimethylethyl nitrite,nitrous acid, t-butyl ester,2-methyl-2-propylnitrit,ch3 3cono
IUPAC Name tert-butyl nitrite
InChI Key IOGXOCVLYRDXLW-UHFFFAOYSA-N
3

Isoamyl nitrite, 97%, stabilized

CAS: 110-46-3 Molecular Formula: C5H11NO2 Molecular Weight (g/mol): 117.15 MDL Number: MFCD00002057 InChI Key: OWFXIOWLTKNBAP-UHFFFAOYSA-N Synonym: isoamyl nitrite,isopentyl nitrite,amilnitrite,vaporole,aspiral,nitrous acid, 3-methylbutyl ester,3-methylbutanol nitrite,pentanoli nitris,nitrous acid, isopentyl ester,amyl nitrite i PubChem CID: 8053 ChEBI: CHEBI:2691 IUPAC Name: 3-methylbutyl nitrite SMILES: CC(C)CCON=O

PubChem CID 8053
CAS 110-46-3
Molecular Weight (g/mol) 117.15
ChEBI CHEBI:2691
MDL Number MFCD00002057
SMILES CC(C)CCON=O
Synonym isoamyl nitrite,isopentyl nitrite,amilnitrite,vaporole,aspiral,nitrous acid, 3-methylbutyl ester,3-methylbutanol nitrite,pentanoli nitris,nitrous acid, isopentyl ester,amyl nitrite i
IUPAC Name 3-methylbutyl nitrite
InChI Key OWFXIOWLTKNBAP-UHFFFAOYSA-N
Molecular Formula C5H11NO2
4

Chloronitromethane, TRC

CAS: 1794-84-9 Molecular Formula: C H2 Cl N O2 Molecular Weight (g/mol): 95.49 Synonym: Chloro-nitromethane IUPAC Name: chloro(nitro)methane SMILES: [O-][N+](=O)CCl

CAS 1794-84-9
Molecular Weight (g/mol) 95.49
SMILES [O-][N+](=O)CCl
Synonym Chloro-nitromethane
IUPAC Name chloro(nitro)methane
Molecular Formula C H2 Cl N O2
5

N-Nitrosoethylmethylamine, TRC

CAS: 10595-95-6 Molecular Formula: C3 H8 N2 O Molecular Weight (g/mol): 88.11 Synonym: Ethanamine, N-methyl-N-nitroso-,Ethylamine, N-methyl-N-nitroso- (7CI,8CI),N-Methyl-N-nitrosoethanamine,Ethylmethylnitrosamine,Methylethylnitrosamine,Methylethylnitrosoamine,N-Methyl-N-nitrosoethylamine,N-Nitroso-N-methylethylamine,N-Nitrosoethylmethylamine,N-Nitrosomethylethylamine,NEMA,Nitrosomethylethylamine,NMEA IUPAC Name: N-ethyl-N-methylnitrous amide SMILES: CCN(C)N=O

CAS 10595-95-6
Molecular Weight (g/mol) 88.11
SMILES CCN(C)N=O
Synonym Ethanamine, N-methyl-N-nitroso-,Ethylamine, N-methyl-N-nitroso- (7CI,8CI),N-Methyl-N-nitrosoethanamine,Ethylmethylnitrosamine,Methylethylnitrosamine,Methylethylnitrosoamine,N-Methyl-N-nitrosoethylamine,N-Nitroso-N-methylethylamine,N-Nitrosoethylmethylamine,N-Nitrosomethylethylamine,NEMA,Nitrosomethylethylamine,NMEA
IUPAC Name N-ethyl-N-methylnitrous amide
Molecular Formula C3 H8 N2 O
6

N-Methyl-N-nitroso-2-propanamine, TRC

CAS: 30533-08-5 Molecular Formula: C4 H10 N2 O Molecular Weight (g/mol): 102.14 Synonym: 2-Propanamine, N-methyl-N-nitroso-,Ethylamine, N,1-dimethyl-N-nitroso- (6CI,7CI,8CI),N-Methyl-N-nitroso-2-propanamine,Isopropylmethylnitrosamine,Methylisopropylnitrosamine,N,1-Dimethyl-N-nitrosoethanamine,N-Methyl-N-nitrosoisopropylamine,NMiPA IUPAC Name: N-methyl-N-propan-2-ylnitrous amide SMILES: CC(C)N(C)N=O

CAS 30533-08-5
Molecular Weight (g/mol) 102.14
SMILES CC(C)N(C)N=O
Synonym 2-Propanamine, N-methyl-N-nitroso-,Ethylamine, N,1-dimethyl-N-nitroso- (6CI,7CI,8CI),N-Methyl-N-nitroso-2-propanamine,Isopropylmethylnitrosamine,Methylisopropylnitrosamine,N,1-Dimethyl-N-nitrosoethanamine,N-Methyl-N-nitrosoisopropylamine,NMiPA
IUPAC Name N-methyl-N-propan-2-ylnitrous amide
Molecular Formula C4 H10 N2 O