(2-(Difluoromethoxy)phenyl)methanol

HCID 2736992

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Basic information

CAS: 72768-94-6
Standard SMILES: OCc1ccccc1OC(F)F
InChIKey: JJAUYEZYAXAERE-UHFFFAOYSA-N
Molecular formula: C8H8F2O2
Average molar mass: 174.14 g/mol
Monoisotopic mass: 174.04923594

Names & identifiers

Preferred name: (2-(Difluoromethoxy)phenyl)methanol
IUPAC: [2-(difluoromethoxy)phenyl]methanol
English name: 2-(Difluoromethoxy)benzyl alcohol
Molecular formula: C8H8F2O2
Molecular weight: 174.14

Names & synonyms

(2-(Difluoromethoxy)phenyl)methanol[2-(difluoromethoxy)phenyl]methanolRefChem:395067671-871-82-(Difluoromethoxy)benzyl alcohol72768-94-6MFCD00236226[2-(difluoromethoxy)phenyl]methan-1-ol(2-difluoromethoxy-phenyl)-methanol2-difluoromethoxybenzyl alcoholSCHEMBL1125350SCHEMBL2650387

Show more names

RARECHEM AL BD 02782-(difluoromethoxy)benzenemethylol2-(Difluoromethoxy)benzenemethanol2-(Difluoromethoxy)benzylalcohol98%(2-(Diflfluoromethoxy)phenyl)methanolBenzenemethanol, 2-(difluoromethoxy)-2-(Difluoromethoxy)benzyl alcohol, 97+%[2-(Difluoromethoxy)phenyl]methanol - [D92341]

DTXSID30371750YQF1361CK2470SBB088868AKOS000249322FS-1147alpha,alpha-Difluoro-2-(hydroxymethyl)anisole, [2-(Difluoromethoxy)phenyl]methanolSY061864

Database identifiers

CAS: 72768-94-6
PubChem CID: 2736992
DTXSID: DTXSID30371750
EC Number: 671-871-8

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 130

Physicochemical properties

Boiling point: 228 ℃ · 228℃
Density: 1.257 · 1.257
Flash point: 113 ℃ · 113℃
storage temp.: 2 · Storage temp. 2-8°C
pka: 14.22 · 14.22±0.10(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 72768 · 72768-94-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HazardClass: IRRITANT
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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.