2,3-Difluoro-6-methoxyphenol

HCID 3269728

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Basic information

CAS: 186306-70-7
Standard SMILES: COc1ccc(F)c(F)c1O
InChIKey: HDQMXTCQIQIJFG-UHFFFAOYSA-N
Molecular formula: C7H6F2O2
Average molar mass: 160.12 g/mol
Monoisotopic mass: 160.03358587

Names & identifiers

Preferred name: 2,3-Difluoro-6-methoxyphenol
IUPAC: 2,3-difluoro-6-methoxyphenol
English name: 2,3-Difluoro-6-methoxyphenol
Molecular formula: C7H6F2O2
Molecular weight: 160.12

Names & synonyms

2,3-Difluoro-6-methoxyphenol186306-70-7DTXSID50390867RefChem:244667DTXCID00341728MFCD04116024Phenol, 2,3-difluoro-6-methoxy- (9CI)PHENOL,2,3-DIFLUORO-6-METHOXY-SCHEMBL43023462,3-difluoro 6-methoxy phenolHDQMXTCQIQIJFG-UHFFFAOYSA-NPhenol, 2,3-difluoro-6-methoxy-

Show more names

SBB087408AKOS015956472JS-4357SY228131DB-277386CS-0193249E89771F342467

Database identifiers

CAS: 186306-70-7
PubChem CID: 3269728
DTXSID: DTXSID50390867
EC Number: 677-354-3

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 44 · 44-47℃
Boiling point: 195.3 · 195.3±35.0 °C(Predicted)
Density: 1.331 · 1.331±0.06 g/cm3(Predicted)
pka: 7.71 · 7.71±0.15(Predicted)
CAS DataBase Reference: 186306 · 186306-70-7
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P305+P351+P338-P337+P313
HS Code: 2907199090 · 2907199090

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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.