Basic information
- CAS
450-94-2- Standard SMILES
OC(CF)c1ccccc1- InChIKey
FXOFPSAANUWIIM-UHFFFAOYSA-N- Molecular formula
- C8H9FO
- Average molar mass
- 140.15 g/mol
- Monoisotopic mass
- 140.06374313
Names & identifiers
- Preferred name
- 2-Fluoro-1-phenylethan-1-ol
- IUPAC
- 2-fluoro-1-phenylethanol
- English name
- 1-(p-Fluorophenyl)ethanol
- Molecular formula
- FC6H4CH(OH)CH3
- Molecular weight
- 140.16
Names & synonyms
2-FLUORO-1-PHENYLETHAN-1-OLDTXSID50963318RefChem:472159DTXCID601391078877-779-62-Fluoro-1-phenylethanol450-94-2MFCD017327592-fluoro-1-phenyl-ethanol1-Phenyl-2-fluoroethanolalpha-Fluoromethylbenzyl alcoholEthanol, 2-fluoro-1-phenyl-
Show more names
1-(P-FLUOROPHENYL)ETHANOL 95%α-(Fluoromethyl)benzyl alcoholα-(Fluoromethyl)benzenemethanol
Benzenemethanol, alpha-(fluoromethyl)-BENZYL ALCOHOL, alpha-FLUOROMETHYL-fluoromethylbenzyl alcoholSCHEMBL6963045SCHEMBL8375805SCHEMBL10485262SCHEMBL10706532SCHEMBL22363023
Database identifiers
- CAS
450-94-2- PubChem CID
- 9946
- DTXSID
DTXSID50963318- EC Number
- 877-779-6
- Nikkaji
- J41.848J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 89.3
Physicochemical properties
- Boiling point
- 70 · 70-75 °C(Press: 12 Torr)
- Density
- 1.113 · 1.113±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.109 · 13.109±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H335-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
天津林宸科技有限公司15122256084 15122256084 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…