CAS 445-26-1 2-Fluoro-alpha-methylbenzenemethanol (HCID 123066)

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Basic information

CAS: 445-26-1
Standard SMILES: CC(O)c1ccccc1F
InChIKey: SXFYVXSOEBCFLV-UHFFFAOYSA-N
Molecular formula: C8H9FO
Average molar mass: 140.15 g/mol
Monoisotopic mass: 140.06374313

Names & identifiers

Preferred name: 2-Fluoro-alpha-methylbenzenemethanol
IUPAC: 1-(2-fluorophenyl)ethanol
English name: 1-(2-Fluorophenyl)ethanol
Molecular formula: C8H9FO
Molecular weight: 140.15

Names & synonyms

445-26-12-Fluoro-alpha-methylbenzyl alcohol2-Fluoro-alpha-methylbenzenemethanolRefChem:472572207-155-51-(2-Fluorophenyl)ethanol1-(2-fluorophenyl)ethan-1-ol2-Fluorophenyl methyl carbinolo-Fluorophenylmethylcarbinol2-FluorophenylmethylcarbinolMFCD000144012-FLUOROPHENYLETHANOL

Show more names

1-(M-FLUOROPHENYL)ETHANOL1-(2-Fluorophenyl)ethanol,95%2-fluoro-α-methylbenzyl alcohol2-Fluorophenylmethylcarbinol97%2-Fluorophenylmethylcarbinol 97%

EINECS 207-155-51-(2'-fluorophenyl)ethanolSCHEMBL625219SCHEMBL1047912SCHEMBL1231007SCHEMBL1759712SCHEMBL6549015SCHEMBL14088059

Database identifiers

CAS: 445-26-1
PubChem CID: 123066
DTXSID: DTXSID50963232
EC Number: 207-155-5
Nikkaji: J196.136E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Boiling point: 205 · 205-206 °C(lit.)
Density: 1.123 g/cm3 · 1.123 g/cm3
refractive index: 20 · n20/D 1.5060(lit.)
Flash point: 80 °C · 80 °C
storage temp.: Sealed in dry,Room Temperature
form: liquid
pka: 13.95 · 13.95±0.20(Predicted)
color: Colourless
Water Solubility: Immiscible in water.
CAS DataBase Reference: 445 · 445-26-1(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Fluorophenylmethylcarbinol(445-26-1)
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.