CAS 6378-66-1 4-Chloro-alpha-(chloromethyl)benzenemethanol (HCID 110834)

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Basic information

CAS: 6378-66-1
Standard SMILES: OC(CCl)c1ccc(Cl)cc1
InChIKey: FMVSIWSINRIEKZ-UHFFFAOYSA-N
Molecular formula: C8H8Cl2O
Average molar mass: 191.05 g/mol
Monoisotopic mass: 189.99522024

Names & identifiers

Preferred name: 4-Chloro-alpha-(chloromethyl)benzenemethanol
IUPAC: 2-chloro-1-(4-chlorophenyl)ethanol
English name: 2-Chloro-1-(4-chloro-phenyl)-ethanol
Molecular formula: C8H8Cl2O
Molecular weight: 191.05

Names & synonyms

4-chloro-alpha-(chloromethyl)benzenemethanolRefChem:5217272-chloro-1-(4-chlorophenyl)ethanol6378-66-12-Chloro-1-(4-chloro-phenyl)-ethanolMFCD004625922-chloro-1-(4-chlorophenyl)ethan-1-ol4-Chloro-alpha-(chloromethyl)benzyl alcoholEINECS 228-954-51-(4-chlorophenyl)-2-chloroethanolSCHEMBL3924286p-chlorophenylchloromethylcarbinol

Show more names

4-Chloro-α-(chloromethyl)benzenemethanolBenzenemethanol,4-chloro-a-(chloromethyl)-Benzenemethanol, 4-chloro-α-(chloromethyl)-Benzenemethanol, 4-chloro-.alpha.-(chloromethyl)-

DTXSID40980352FMVSIWSINRIEKZ-UHFFFAOYSA-NAKOS006272516AS-37355SY238651(+)-2-chloro-1-(4'-chlorophenyl)ethanol(-)-2-chloro-1-(4'-chlorophenyl) ethanolCS-0157552

Database identifiers

CAS: 6378-66-1
PubChem CID: 110834
DTXSID: DTXSID40980352

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 111

Physicochemical properties

Melting point: 39 · 39-41 °C
Boiling point: 145 · 145-147 °C(Press: 10 Torr)
Density: 1.319 g/cm3 · 1.3190 g/cm3
storage temp.: Sealed in dry,Room Temperature
pka: 13 · 13.00±0.20(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2906290090 · 2906290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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.