alpha-Cyclopropyl-4-fluorobenzenemethanol

HCID 102498

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Basic information

CAS: 827-88-3
Standard SMILES: OC(c1ccc(F)cc1)C1CC1
InChIKey: MJODBWDKPXYVMF-UHFFFAOYSA-N
Molecular formula: C10H11FO
Average molar mass: 166.19 g/mol
Monoisotopic mass: 166.07939313

Names & identifiers

Preferred name: alpha-Cyclopropyl-4-fluorobenzenemethanol
IUPAC: cyclopropyl-(4-fluorophenyl)methanol
English name: ALPHA-CYCLOPROPYL-4-FLUOROBENZYL ALCOHOL
Molecular formula: C10H11FO
Molecular weight: 166.2

Names & synonyms

alpha-Cyclopropyl-4-fluorobenzenemethanolRefChem:555484cyclopropyl(4-fluorophenyl)methanol827-88-3alpha-Cyclopropyl-4-fluorobenzyl alcoholcyclopropyl-(4-fluorophenyl)methanolBenzenemethanol, a-cyclopropyl-4-fluoro-MFCD00013730cyclopropyl(4-fluorophenyl)methan-1-olEINECS 212-576-2ALPHA-CYCLOPROPYL-4-FLUOROBENZYLALCOHOLSCHEMBL1348883

Show more names

α-Cyclopropyl-4-fluorobenzylalcoholα-CYCLOPROPYL-4-FLUOROBENZYL ALCOHOLα-Cyclopropyl-4-fluorobenzenemethanolα-Cyclopropyl-4-fluorobenzenemethanolBenzenemethanol, α-cyclopropyl-4-fluoro-(S)-cyclopropyl-(4-fluorophenyl)methanolalpha-Cyclopropyl-4-fluorobenzyl alcohol, 98+%

cyclopropyl-4-fluorophenylcarbinolMJODBWDKPXYVMF-UHFFFAOYSA-NDTXSID101002856Cyclopropyl (4-fluorophenyl)methanola-Cyclopropyl-4-fluorobenzenemethanolSBB088010AKOS009156470AT34083

Database identifiers

CAS: 827-88-3
PubChem CID: 102498
DTXSID: DTXSID101002856
EC Number: 212-576-2
Nikkaji: J195.089D

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 148

Physicochemical properties

Boiling point: 250.8 · 250.8±15.0 °C(Predicted)
Density: 1.13 · 1.13
refractive index: 1.517 · 1.517-1.519
pka: 14.22 · 14.22±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25
HS Code: 2906190090 · 2906190090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.