3-Chloro-4-hydroxybenzonitrile

C₇H₄ClNOCAS 2315-81-3153.56 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Phenol

Properties

Molecular formula: C₇H₄ClNO
Molar mass: 153.56 g/mol
Exact mass: 152.9981 Da
logP: 1.92Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2315-81-3

SMILES

C1=CC(=C(C=C1C#N)Cl)O

InChIKey

CRYPJUOSZDQWJZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H

Weigh it out

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

Names and synonyms

1 names

Benzonitrile, 3-chloro-4-hydroxy-

Work with 3-Chloro-4-hydroxybenzonitrile

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

3,4-Dihydroxybenzonitrile17345-61-864 % similar 3,4-Dichlorobenzonitrile6574-99-864 % similar 3-Bromo-4-hydroxybenzonitrile2315-86-861 % similar Chloroxynil1891-95-857 % similar 3-Chloro-4-fluorobenzonitrile117482-84-556 % similar 3-Chloro-4-methylbenzonitrile21423-81-456 % similar 4-Amino-3-chlorobenzonitrile21803-75-856 % similar 4-Cyano-2-fluorophenol405-04-956 % similar

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

Same formula

4-Chlorophenyl isocyanate104-12-1 5-Chloro-2-hydroxybenzonitrile13589-72-5 3-Chloro-1,2-benzoxazole16263-52-8 5-Chlorobenzoxazole17200-29-2 3-Chlorophenyl isocyanate2909-38-8 4-Chlorofuro[3,2-C]pyridine31270-80-1 2-Chlorophenyl isocyanate3320-83-0 2-Chloro-4-hydroxybenzonitrile3336-16-1

Elsewhere

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