2-Chloro-6-methyl-3-nitrophenol

C₇H₆ClNO₃CAS 39183-20-5187.58 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₇H₆ClNO₃
Molar mass: 187.58 g/mol
Exact mass: 187.0036 Da
Melting point: 74 °C
logP: 2.26Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

39183-20-5

SMILES

Cc1ccc([N+](=O)[O-])c(Cl)c1O

InChIKey

FYPOFAFXSGYVLK-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO3/c1-4-2-3-5(9(11)12)6(8)7(4)10/h2-3,10H,1H3

Weigh it out

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

Names and synonyms

2 names

Phenol, 2-chloro-6-methyl-3-nitro-
2-Methyl-5-nitro-6-chlorophenol

Work with 2-Chloro-6-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

2-Methyl-6-nitrophenol13073-29-564 % similar 2-Chloro-1-methyl-3-nitrobenzene3970-40-961 % similar 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-054 % similar 2-Chloro-1,3-dinitrobenzene606-21-353 % similar 2,6-Dinitrophenol573-56-851 % similar 2,3,4-Trichloronitrobenzene17700-09-351 % similar 4-Methyl-3-nitrophenol2042-14-051 % similar 3-Methyl-4-nitrophenol2581-34-251 % similar

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

Same formula

1-Chloro-2-methoxy-4-nitrobenzene1009-36-5 1-Chloro-4-methoxy-2-nitrobenzene10298-80-3 2-Chloro-6-methoxypyridine-4-carboxylic acid15855-06-8 4-Chloro-2-nitrobenzenemethanol22996-18-5 2-(Chloromethyl)-4-nitrophenol2973-19-5 2-Chloro-1-methoxy-4-nitrobenzene4920-79-0 2-Chloro-6-methoxypyridine-3-carboxylic acid503000-87-1 4-Chloro-3-nitrobenzenemethanol55912-20-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook