1-Chloro-2-methyl-4-nitrobenzene

C₇H₆ClNO₂CAS 13290-74-9171.58 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₆ClNO₂
Molar mass: 171.58 g/mol
Exact mass: 171.0087 Da
Melting point: 42.5 °C
Boiling point: 249 °C
logP: 2.56Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

13290-74-9

SMILES

Cc1cc([N+](=O)[O-])ccc1Cl

InChIKey

BGDCQZFFNFXYQC-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

8 names

Benzene, 1-chloro-2-methyl-4-nitro-
Toluene, 2-chloro-5-nitro-
4-Chloro-3-methylnitrobenzene
2-Chloro-5-nitrotoluene
2-Methyl-4-nitrochlorobenzene
6-Chloro-3-nitrotoluene
2-Methyl-4-nitro-1-chlorobenzene
1-Chloro-4-nitro-2-methylbenzene

Work with 1-Chloro-2-methyl-4-nitrobenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

4-Nitrobenzyl chloride100-14-1 2-Chloro-4-nitrotoluene121-86-8 2-Amino-6-chlorobenzoic acid2148-56-3 3-Amino-5-chlorobenzoic acid21961-30-8 4-Amino-2-chlorobenzoic acid2457-76-3 4-Amino-3-chlorobenzoic acid2486-71-7 3-Amino-4-chlorobenzoic acid2840-28-0 2-Chloro-6-methylnicotinic acid30529-70-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook