2-Chloro-5-nitrobenzenemethanol

C7H6ClNO3CAS 80866-80-4187.58 g/mol

Open in Covalent MOL file
ON+O−ClHO
AlcoholAryl halideNitro

Properties

Molecular formula
C7H6ClNO3
Molar mass
187.58 g/mol
Exact mass
187.0036 Da
Melting point
68 °C
logP
1.74Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
80866-80-4
SMILES
O=[N+]([O-])c1ccc(Cl)c(CO)c1
InChIKey
NNLQYDLTFRXAKD-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-3,10H,4H2

Weigh it out

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

Names and synonyms

4 names
  • Benzenemethanol, 2-chloro-5-nitro-
  • Benzyl alcohol, 2-chloro-5-nitro-
  • 2-Chloro-5-nitrobenzyl alcohol
  • (2-Chloro-5-nitrophenyl)methanol

Work with 2-Chloro-5-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

(4,4'-Dinitro-[1,1'-biphenyl]-2,2'-diyl)dimethanol5047-02-969 % similar 1,2-Dichloro-4-nitrobenzene99-54-762 % similar 2-Chloro-5-nitrophenol619-10-359 % similar 2,4-Dinitrochlorobenzene97-00-758 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-955 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-455 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-255 % similar Nitrofungin619-08-955 % 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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