N,N-Dimethyl-4-nitrosoaniline

HCID 8749

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Basic information

CAS: 138-89-6
Standard SMILES: CN(C)c1ccc(N=O)cc1
InChIKey: CMEWLCATCRTSGF-UHFFFAOYSA-N
Molecular formula: C8H10N2O
Average molar mass: 150.181 g/mol
Monoisotopic mass: 150.07931294

Names & identifiers

Preferred name: N,N-Dimethyl-4-nitrosoaniline
IUPAC: N,N-Dimethyl-4-nitrosoaniline
English name: N,N-Dimethyl-4-nitrosoaniline
Molecular formula: C8H10N2O
Molecular weight: 150.18

Names & synonyms

SKL297Nitro baseNCI-C01821AccelereneAccelerineVulcanilineultrabrilliantbluepUltra Brilliant Blue PP-NITROSODIMETHYLANILINEp-Nitrosodimethylanilide

Database identifiers

CAS: 138-89-6
PubChem CID: 8749
DTXSID: DTXSID7025138
ChEMBL: CHEMBL1569493
ChEBI: CHEBI:59990
UNII: 726V2ETM9E
EC Number: 205-343-1
Nikkaji: J3.628E

Properties

Physicochemical properties

Melting point: 85 · 85-87 °C(lit.)
Boiling point: 271.72 °C · 271.72°C (rough estimate)
Density: 1 · 1,15 g/cm3
refractive index: 1.618 · 1.6180 (estimate)
storage temp.: 30 °C · Store below +30°C.
Water Solubility: Insoluble in water
solubility: soluble in Chloroform, Methanol
form: powder to crystal
pka: -0.9 · -0.90±0.12(Predicted)
color: Yellow to Brown to Dark green
Merck: 14 · 14,6638
BRN: 607293 · 607293
Stability: Stable. Incompatible with strong oxidizing agents, strong reducing agents, strong acids, acetic acid, acetic anhydride. Highly flammable
InChI: 1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
InChIKey: CMEWLCATCRTSGF-UHFFFAOYSA-N
SMILES: N(C)(C)c1ccc(cc1)N=O
Toxicology and Carcinogenesis: N,N-Dimethyl-P-Nitrosoaniline (CASRN 138-89-6) - No report issued.
CAS DataBase Reference: 138 · 138-89-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 726 V2ETM9E · 726V2ETM9E
EPA Substance Registry System: N,N-Dimethyl-p-nitrosoaniline (138-89-6)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 251 · H251-H301-H315-H317-H319-H335
Precautionary statements: 235 · P235-P280-P301+P310+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: F,T
Risk Statements: 11 · 11-25-36/37/38-43
Safety Statements: 16 · 16-26-36/37-45
RIDADR: 1369 · UN 1369
WGK Germany: 3 · 3
RTECS: 7175000 · BX7175000
F: 4.7 · 4.7-8-9
TSCA: TSCA listed
HS Code: 2921 · 2921 42 00
HazardClass: 4.2 · 4.2
PackingGroup: II
Storage Class: 4.2 · 4.2 - Pyrophoric and self-heating hazardous materials
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Self-heat. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Hazardous Substances Data: 138 · 138-89-6(Hazardous Substances Data)
Toxicity: 50 orally · LD50 orally in Rabbit: 65 mg/kg

Safety & regulation

Safety data

F: 4.7-8-9
wgk: 3
tsca: TSCA listed
rtecs: BX7175000
ridadr: UN 1369
hs_code: 2921 42 00
Toxicity: LD50 orally in Rabbit: 65 mg/kg
risk_code: 11-25-36/37/38-43
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: F,T
safety_code: 16-26-36/37-45
hazard_class: 4.2
Storage Class: 4.2 - Pyrophoric and self-heating hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H251-H301-H315-H317-H319-H335
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Self-heat. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P235-P280-P301+P310+P330-P302+P352-P305+P351+P338
Hazardous Substances Data: 138-89-6(Hazardous Substances Data)