CAS 6653-80-1 1-(Chloromethyl)-4-Ethoxybenzene (HCID 2063971)

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Basic information

CAS: 6653-80-1
Standard SMILES: CCOc1ccc(CCl)cc1
InChIKey: DCLMJYZEOSDVCL-UHFFFAOYSA-N
Molecular formula: C9H11ClO
Average molar mass: 170.63 g/mol
Monoisotopic mass: 170.04984265

Names & identifiers

Preferred name: 1-(Chloromethyl)-4-Ethoxybenzene
IUPAC: 1-(chloromethyl)-4-ethoxybenzene
English name: 1-(CHLOROMETHYL)-4-ETHOXYBENZENE
Molecular formula: C9H11ClO
Molecular weight: 170.64

Names & synonyms

1-(Chloromethyl)-4-Ethoxybenzene6653-80-1DTXSID70366387RefChem:226364DTXCID80317426809-765-24-ETHOXYBENZYL CHLORIDEMFCD00123292Benzene, 1-(chloromethyl)-4-ethoxy-p-chloromethylphenetoleSCHEMBL1390870SCHEMBL27893836

Show more names

SCHEMBL28184224DCLMJYZEOSDVCL-UHFFFAOYSA-N1-(chloromethyl)-4-ethoxy-benzeneGAA65380Benzene 1-(chloromethyl)-4-ethoxy-AKOS002433903AS-37718DB-000566

Database identifiers

CAS: 6653-80-1
PubChem CID: 2063971
DTXSID: DTXSID70366387
EC Number: 809-765-2

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 97.7

Physicochemical properties

Boiling point: 123 °C · 123 °C(Press: 15 Torr)
Density: 1.082 · 1.082±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H412
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P273-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.