3-Methyl-4-nitrophenol

HCID 178851067CAS 910311-23-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(O)ccc1[N+](=O)[O-]
InChIKey
PIIZYNQECPTVEO-UHFFFAOYSA-N
Molecular formula
C7H7NO3
Average molar mass
153.14 g/mol

Overview

4-nitro-m-cresol is a C-nitro compound in which the nitro group is attached at C-4 of m-cresol. It is functionally related to a m-cresol.

Names & identifiers

Preferred name
3-Methyl-4-nitrophenol
IUPAC
3-methyl-4-nitrophenol
English name
Phenol, 3-methyl-4-nitro-, labeled with carbon-14 (9CI)
Molecular formula
C7H7NO3
Molecular weight
0

Names & synonyms

3-Methyl-4-nitrophenol2581-34-24-Nitro-m-cresol4-Nitro-3-cresol5-Hydroxy-2-nitrotoluene4-Nitro-3-methylphenol2-Nitro-5-hydroxytoluenePhenol, 3-methyl-4-nitro-4-Nitro-5-methylphenolm-Cresol, 4-nitro-P-NITRO-M-CRESOL2CC94832EU
Show more names
Phenol, 3-methyl-4-nitro-, labeled with carbon-14 (9CI)
NSC-69190DTXSID2062535CHEBI:38683RefChem:94775DTXCID2037398219-952-5MFCD000073334-Nitro-1-hydroxy-3-methylbenzene

Database identifiers

CAS
910311-23-8
ChEBI
CHEBI:38683
UNII
2CC94832EU
EC Number
219-952-5
Nikkaji
J55.423E、J886.766F

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Chemical Classes · 2 items

Nitrogen Compounds -> Nitrophenols

Industrial compound

SpringerMaterials PropertiesFusion temperature
Pesticides · 2 items

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Pesticide (Fenitrothion metabolite (3-Methyl-4-nitrophenol)) -> USDA PDB

LogP2.26
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.000632 [mmHg]

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Regulatory Information · 2 items

Chemical: Phenol, 3-methyl-4-nitro-

3-Methyl-4-nitrophenol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards Summary · 1 item

Transient excretion of glucose to urine observed in 6-month oral study of rats at 1,500 ppm (no other adverse effects observed); A preliminary reproductive/developmental study of rats demonstrated decreased locomotor activity and thrombi in the kidney, heart, and lung in males at 300 mg/kg/day, but no evidence of reproductive or developmental toxicity; Mutagenic effects observed in vitro and in vivo; [OECD SIDS: 3-Methyl-4-nitrophenol - 1994] No adverse effects observed in mice orally administered 25 mg/kg during gestation; [Shepard's Catalog of Teratogenic Agents] An irritant that may cause serious eye injury; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]

Hazard Classes and Categories · 2 items

Acute Tox. 4 (93.6%)

Self-reactive substances and mixtures - Type G

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate for pesticides; [OECD SIDS: 3-Methyl-4-nitrophenol - 1994]
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationPhenol, 3-methyl-4-nitro-: INACTIVE

Suppliers1 total

CHEMSTEP[email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…