4-(Chloromethyl)benzyl alcohol 99

C8H9ClOCAS 16473-35-1156.61 g/mol

Open in Covalent MOL file
HOCl
AlcoholAlkyl halide

Properties

Molecular formula
C8H9ClO
Molar mass
156.61 g/mol
Exact mass
156.0342 Da
logP
1.92Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
16473-35-1
SMILES
C1=CC(=CC=C1CO)CCl
InChIKey
OGALXJIOJZXBBP-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2

Weigh it out

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Names and synonyms

1 names
  • [4-(Chloromethyl)phenyl]methanol

Work with 4-(Chloromethyl)benzyl alcohol 99

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

1,4-Benzenedimethanol589-29-767 % similar Alpha,alpha'-Dichloro-p-xylene623-25-667 % similar 4,4′-Bis(chloromethyl)biphenyl1667-10-357 % similar 4,4'-Bis(hydroxymethyl)biphenyl1667-12-557 % similar 4-Fluorobenzyl alcohol459-56-357 % similar 4-Chlorobenzyl alcohol873-76-757 % similar 4-Chlorobenzyl chloride104-83-652 % similar 4-Fluorobenzyl chloride352-11-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2,6-dimethylphenol1123-63-3 (1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9

Elsewhere

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