4-Methyl-3-nitrophenol

C₇H₇NO₃CAS 2042-14-0153.14 g/mol

Open in Covalent MOL file

Nitro Phenol

Properties

Molecular formula: C₇H₇NO₃
Molar mass: 153.14 g/mol
Exact mass: 153.0426 Da
Melting point: 79 °C
logP: 1.61Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed60.4% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage57.1% of notifiers
H319 Causes serious eye irritation42.9% of notifiers
H335 May cause respiratory irritation26.9% of notifiers
H412 Harmful to aquatic life with long lasting effects17.6% of notifiers

Aggregated from 182 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2042-14-0

SMILES

Cc1ccc(O)cc1[N+](=O)[O-]

InChIKey

BQEXDUKMTVYBRK-UHFFFAOYSA-N

InChI

InChI=1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Phenol, 4-methyl-3-nitro-
p-Cresol, 3-nitro-
3-Nitro-4-methylphenol
3-Nitro-p-cresol
4-Hydroxy-2-nitrotoluene
4-Methyl-5-nitrophenol
NSC 41205

Work with 4-Methyl-3-nitrophenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Methyl-4-nitrophenol2581-34-281 % similar 4-Bromo-1-methyl-2-nitrobenzene60956-26-565 % similar 2,4-Dinitrotoluene121-14-264 % similar 1,4-Dimethyl-2-nitrobenzene89-58-764 % similar 4-Iodo-2-nitrotoluene41252-97-562 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-662 % similar 4-Methyl-3-nitroaniline119-32-460 % similar 4-Fluoro-3-nitrophenol2105-96-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitroanisole100-17-4 Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 4-Methyl-2-nitrophenol119-33-5 2-Methyl-6-nitrophenol13073-29-5 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Amino-3-hydroxybenzoic acid2374-03-0

Elsewhere

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