3,5-Dimethyl-4-nitrosophenol

HCID 236019CAS 19628-76-3

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Basic information

Standard SMILES: Cc1cc(O)cc(C)c1N=O
InChIKey: ZVUJMNCTXGSXSQ-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: 3,5-Dimethyl-4-nitrosophenol
IUPAC: 3,5-dimethyl-4-nitrosophenol
English name: 3,5-Dimethyl-4-nitrosophenol
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

3,5-Dimethyl-4-nitrosophenol19628-76-3DTXSID50284616RefChem:271927DTXCID302357674-Nitroso-3,5-xylenolPhenol, 3,5-dimethyl-4-nitroso-3, 4-nitroso-NSC38029NSC-38029Phenol,5-dimethyl-4-nitroso-3,5-Dimethyl-4-nitrosophenol; NSC 38029

Show more names

NSC 38029

3,5-Xylenol, 4-nitroso-L85NWV2FLESCHEMBL1578480SCHEMBL11420164ZVUJMNCTXGSXSQ-UHFFFAOYSA-NSTL182521AKOS015951528AKOS022171791

Database identifiers

CAS: 19628-76-3
PubChem CID: 236019
DTXSID: DTXSID50284616
UNII: L85NWV2FLE
EC Number: 808-839-1
Nikkaji: J122.124H

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 137

Physicochemical properties

solubility: Dimethylformamide, Dimethyl Sulfoxide, Methanol
form: Solid
color: Yellow
Symbol(GHS): 2 · GHS02,GHS05,GHS07,GHS08,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H341-H411-H228
Precautionary statements: 501 · P501-P273-P270-P202-P240-P210-P201-P241-P264-P280-P302+P352-P370+P378-P391-P308+P313-P362+P364-P332+P313-P301+P312+P330-P305+P351+P338+P310-P405

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Eye Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07,GHS08,GHS09
Hazard statements: H302-H315-H318-H341-H411-H228
Precautionary statements: P501-P273-P270-P202-P240-P210-P201-P241-P264-P280-P302+P352-P370+P378-P391-P308+P313-P362+P364-P332+P313-P301+P312+P330-P305+P351+P338+P310-P405