Basic information
- CAS
2542-09-8- Standard SMILES
CC(O)(c1ccc(F)cc1)C1CC1- InChIKey
KTXSJDVWEXYQPK-UHFFFAOYSA-N- Molecular formula
- C11H13FO
- Average molar mass
- 180.22 g/mol
- Monoisotopic mass
- 180.09504326
Names & identifiers
- Preferred name
- 1-Cyclopropyl-1-(4-fluorophenyl)ethanol
- IUPAC
- 1-cyclopropyl-1-(4-fluorophenyl)ethanol
- English name
- alpha-cyclopropyl-4-fluoro-alpha-methylbenzyl alcohol
- Molecular formula
- C11H13FO
- Molecular weight
- 180.22
Names & synonyms
2542-09-81-cyclopropyl-1-(4-fluorophenyl)ethanolalpha-Cyclopropyl-4-fluoro-alpha-methylbenzenemethanolalpha-Cyclopropyl-4-fluoro-alpha-methylbenzyl alcohol1-Cyclopropyl-1-(4-Fluoro-Phenyl)-EthanolNSC771041-cyclopropyl-1-(4-fluorophenyl)ethan-1-olSCHEMBL1348891KTXSJDVWEXYQPK-UHFFFAOYSA-NDTXSID401366481EINECS 219-821-2MFCD00065267
Show more names
Methanol,cyclopropyl,methyl,4-fluorophenylα-Cyclopropyl-4-fluoro-α-methylbenzenemethanolα-Cyclopropyl-4-fluoro-α-methylbenzenemethanolBenzenemethanol, α-cyclopropyl-4-fluoro-α-methyl-Benzenemethanol, alpha-cyclopropyl-4-fluoro-alpha-methyl-Inchi=1/C11H13fo/C1-11(13,8-2-3-8)9-4-6-10(12)7-5-9/H4-8,13H,2-3H2,1h
NSC 77104NSC-77104AKOS010011165DB-312083NS00046574a-Cyclopropyl-4-fluoro-a-methylbenzenemethanolH70885|A-Cyclopropyl-4-fluoro-|A-methylbenzenemethanol
Database identifiers
- CAS
2542-09-8- PubChem CID
- 98104
- DTXSID
DTXSID401366481- EC Number
- 219-821-2
- Nikkaji
- J192.035I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
9 records
Compound notes
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