3-(Chloromethyl)phenol

HCID 35683CAS 60760-06-7

Substructure search Find similar structures

Basic information

Standard SMILES: Oc1cccc(CCl)c1
InChIKey: ZFIKJVXBLFGISQ-UHFFFAOYSA-N
Molecular formula: C7H7ClO
Average molar mass: 142.58 g/mol
Monoisotopic mass: 142.01854252

Names & identifiers

Preferred name: 3-(Chloromethyl)phenol
IUPAC: 3-(chloromethyl)phenol
English name: 3-Chloromethyl-phenol
Molecular formula: C7H7ClO
Molecular weight: 142.58

Names & synonyms

3-(chloromethyl)phenol60760-06-7DTXSID80275370RefChem:275311DTXCID30226817821-970-93-Chloromethyl-phenolMFCD066585363-(Chloromethyl)phenol (>80%)3-Chloromethylphenol; 3-Hydroxybenzyl Chloride;3-hydroxybenzyl chloride3-hydroxy benzyl chloride

Show more names

Phenol, 3-(chloromethyl)-SCHEMBL3284545SCHEMBL3577582SCHEMBL29894082ZFIKJVXBLFGISQ-UHFFFAOYSA-NKCA76006AKOS006293629AC-20724

Database identifiers

CAS: 60760-06-7
PubChem CID: 35683
DTXSID: DTXSID80275370
EC Number: 821-970-9

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 85

Physicochemical properties

Boiling point: 105 · 105-110 °C(Press: 0.1 Torr)
Density: 1.233 · 1.233±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Acetonitrile (Slightly), DMSO (Sparingly, Sonicated)
pka: 9.61 · 9.61±0.10(Predicted)
form: Solid
color: Light Brown to Brown
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314-H315
Precautionary statements: 260 · P260-P264-P270-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P332+P313-P362-P405-P501
HS Code: 2908190090 · 2908190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P332+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2908190090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H314-H315
Precautionary statements: P260-P264-P270-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P332+P313-P362-P405-P501