4-Chloro-3-nitrobenzenemethanol

C₇H₆ClNO₃CAS 55912-20-4187.58 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Nitro

Properties

Molecular formula: C₇H₆ClNO₃
Molar mass: 187.58 g/mol
Exact mass: 187.0036 Da
Melting point: 64–65 °C
logP: 1.74Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

55912-20-4

SMILES

O=[N+]([O-])c1cc(CO)ccc1Cl

InChIKey

QLLRQJDSYJIXTN-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2

Weigh it out

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

Names and synonyms

7 names

Benzenemethanol, 4-chloro-3-nitro-
Benzyl alcohol, 4-chloro-:3-nitro-
4-Chloro-3-nitrobenzyl alcohol
3-Nitro-4-chlorobenzyl alcohol
1-Chloro-4-hydroxymethyl-2-nitrobenzene
(4-Chloro-3-nitrophenyl)methanol
3-Hydroxymethyl-6-chloronitrobenzene

Work with 4-Chloro-3-nitrobenzenemethanol

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

4-Hydroxy-3-nitrobenzyl alcohol41833-13-065 % similar 4-Chloro-3-nitrophenylacetic acid37777-68-763 % similar 4-Methyl-3-nitrobenzenemethanol40870-59-563 % similar 4-Chloro-3-nitrophenol610-78-659 % similar 3-Methyl-4-nitrobenzenemethanol80866-75-759 % similar 2-Nitrochlorobenzene88-73-359 % similar 1,4-Dichloro-2-nitrobenzene89-61-258 % similar 2,4-Dinitrochlorobenzene97-00-758 % 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-6-methyl-3-nitrophenol39183-20-5 2-Chloro-1-methoxy-4-nitrobenzene4920-79-0 2-Chloro-6-methoxypyridine-3-carboxylic acid503000-87-1

Elsewhere

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