3,4-Dichloro-5-(trifluoromethoxy)benzyl alcohol

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Basic information

CAS: 1706458-54-9
Standard SMILES: OCc1cc(Cl)c(Cl)c(OC(F)(F)F)c1
InChIKey: HIKXNIMFULQBRS-UHFFFAOYSA-N
Molecular formula: C8H5Cl2F3O2
Average molar mass: 261.02 g/mol

Names & identifiers

Preferred name: 3,4-Dichloro-5-(trifluoromethoxy)benzyl alcohol
IUPAC: [3,4-dichloro-5-(trifluoromethoxy)phenyl]methanol
English name: 3,4-Dichloro-5-(trifluoromethoxy)benzyl alcohol
Molecular formula: C8H5Cl2F3O2
Molecular weight: 261.03

Names & synonyms

3,4-Dichloro-5-(trifluoromethoxy)benzyl alcohol1706458-54-9MFCD28054206[3,4-DICHLORO-5-(TRIFLUOROMETHOXY)PHENYL]METHANOL(3,4-Dichloro-5-(trifluoromethoxy)phenyl)methanolSCHEMBL25367417SCHEMBL30694799AKOS037653603JS-5176CS-0380278Benzenemethanol, 3,4-dichloro-5-(trifluoromethoxy)-

Database identifiers

CAS: 1706458-54-9

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 213

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P302+P352-P305+P351+P338
HS Code: 2909498090 · 2909498090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code: 2909498090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P280-P302+P352-P305+P351+P338

Related reactions

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Compound notes

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