CAS 162744-55-0 (4-Bromo-2,3-difluorophenyl)methanol (HCID 66819962)

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Basic information

CAS: 162744-55-0
Standard SMILES: OCc1ccc(Br)c(F)c1F
InChIKey: QUNPEOZOKHEQDK-UHFFFAOYSA-N
Molecular formula: C7H5BrF2O
Average molar mass: 223.01 g/mol

Names & identifiers

Preferred name: (4-Bromo-2,3-difluorophenyl)methanol
IUPAC: (4-bromo-2,3-difluorophenyl)methanol
English name: 4-Bromo-2,3-difluorobenzylalcohol
Molecular formula: C7H5BrF2O
Molecular weight: 223.01

Names & synonyms

162744-55-0(4-bromo-2,3-difluorophenyl)methanolRefChem:402456861-208-24-bromo-2,3-difluorobenzyl alcoholBenzenemethanol, 4-bromo-2,3-difluoro-MFCD224935154-Bromo-2,3-difluorobenzylalcohol4-Bromo-2,3-difuorobenzyl alcoholSCHEMBL8551764-Bromo-2,3-difluorobenzylalcoQUNPEOZOKHEQDK-UHFFFAOYSA-N

Show more names

(4-Bromo-2,3-difluorophenyl)methanol - [B89729]

MGA74455AKOS027252277(4-bromo-2,3-difluoro-phenyl)methanolPS-10179SY218548DB-120543CS-0173464EN300-314210

Database identifiers

CAS: 162744-55-0
PubChem CID: 66819962
EC Number: 861-208-2

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: 256.9 · 256.9±35.0 °C(Predicted)
Density: 1.744 · 1.744±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
form: powder
pka: 13.22 · 13.22±0.10(Predicted)
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330
HS Code: 2909498090 · 2909498090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.