2,3-Difluoro-4-methylphenol

HCID 2774151CAS 261763-45-5

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(O)c(F)c1F
InChIKey: NVYIUITYVMVHJM-UHFFFAOYSA-N
Molecular formula: C7H6F2O
Average molar mass: 144.12 g/mol
Monoisotopic mass: 144.03867125

Names & identifiers

Preferred name: 2,3-Difluoro-4-methylphenol
IUPAC: 2,3-difluoro-4-methylphenol
English name: Phenol, 2,3-difluoro-4-methyl- (9CI)
Molecular formula: C7H6F2O
Molecular weight: 144.12

Names & synonyms

2,3-Difluoro-4-methylphenol261763-45-5DTXSID60378914RefChem:244656DTXCID60329941Phenol, 2,3-difluoro-4-methyl-MFCD016316512,3-difluoro-4-methyl-phenol2,3-difluoro-4-methyl phenolSCHEMBL16794532,3-Difluoro-4-methylphenol, 97%BBL102677

Show more names

Phenol,2,3-difluoro-4-methyl-Phenol, 2,3-difluoro-4-methyl- (9CI)2,3-Difluoro-p-cresol, 2,3-Difluoro-4-hydroxytoluene2,3-difluoro-4-methylphenol2,3-difluoro-4-methylphenol

SBB086330STL556481AKOS006227590PS-8976SY101223CS-0206443A12364EN300-159995

Database identifiers

CAS: 261763-45-5
PubChem CID: 2774151
DTXSID: DTXSID60378914
EC Number: 670-742-3

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 35 · 35-38℃
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P309-P310
TSCA: N
HazardClass: 8 · 8
HS Code: 2908990000 · 2908990000

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.