CAS 27160-08-3 4-(2-Chloroethyl)-1,2-dimethoxybenzene (HCID 3015359)

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Basic information

CAS: 27160-08-3
Standard SMILES: COc1ccc(CCCl)cc1OC
InChIKey: VZGITQAWSRBJPP-UHFFFAOYSA-N
Molecular formula: C10H13ClO2
Average molar mass: 200.66 g/mol
Monoisotopic mass: 200.06040734

Names & identifiers

Preferred name: 4-(2-Chloroethyl)-1,2-dimethoxybenzene
IUPAC: 4-(2-chloroethyl)-1,2-dimethoxybenzene
English name: 4-(2-chloroethyl)-1,2-dimethoxybenzene
Molecular formula: C10H13ClO2
Molecular weight: 200.66

Names & synonyms

4-(2-Chloroethyl)-1,2-dimethoxybenzene27160-08-3EINECS 248-276-3DTXSID70181633RefChem:97044DTXCID10104124248-276-3Benzene,4-(2-chloroethyl)-1,2-dimethoxy-Homoveratryl chlorideSCHEMBL13320823,4-dimethoxyphenethyl chlorideCBA16008

Show more names

Vanillin Impurity 2Benzene, 4-(2-chloroethyl)-1,2-dimethoxy-

2-(3,4-dimethoxyphenyl)ethyl chloride1-(3,4-dimethoxyphenyl)-2-chloroethane2-(3,4-dimethoxyphenyl) ethyl chloride2-(3,4-dimethoxyphenyl)-ethyl chloride2-(3,4-dimethoxyphenyl)-ethyl-chlorideDA-22855NS00028263EN300-6744069

Database identifiers

CAS: 27160-08-3
PubChem CID: 3015359
DTXSID: DTXSID70181633
EC Number: 248-276-3
Nikkaji: J308.457D

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 141

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.