(2-Chloro-4,5-difluorophenyl)methanol

HCID 720763

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 288154-93-8
Standard SMILES: OCc1cc(F)c(F)cc1Cl
InChIKey: VPBQEWYEJDAYKP-UHFFFAOYSA-N
Molecular formula: C7H5ClF2O
Average molar mass: 178.56 g/mol
Monoisotopic mass: 177.9996988

Names & identifiers

Preferred name: (2-Chloro-4,5-difluorophenyl)methanol
IUPAC: (2-chloro-4,5-difluorophenyl)methanol
English name: 4-Chloro-2,6-difluorobenzyl alcohol
Molecular formula: C7H5ClF2O
Molecular weight: 178.56

Names & synonyms

(2-chloro-4,5-difluorophenyl)methanolRefChem:395595657-323-0288154-93-82-Chloro-4,5-difluorobenzyl alcoholMFCD02063025(2-Chloro-4,5-difluoro-phenyl)methanol(2-chloro-4,5-difluorophenyl)methan-1-olSCHEMBL3824032VPBQEWYEJDAYKP-UHFFFAOYSA-NSBB089475AKOS006276277

Show more names

RARECHEM AL BD 13074-chloro-2,6-difluorobenzyl alcoho4-Chloro-2,6-difluorobenzyl alcoholBenzenemethanol, 2-chloro-4,5-difluoro-(2-chloro-5-fluoro-4-methoxyphenyl)methanol

JS-4416SB84568(2-chloro-4,5-difluoro-phenyl)-methanolST012397CS-0194226E89620F342539

Database identifiers

CAS: 288154-93-8
PubChem CID: 720763
EC Number: 657-323-0

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Physicochemical properties

Boiling point: 230.8 · 230.8±35.0 °C(Predicted)
Density: 1.444 · 1.444±0.06 g/cm3(Predicted)
pka: 13.2 · 13.20±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338-P362+P364
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2909498090 · 2909498090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.