Basic information
- CAS
803736-46-1- Standard SMILES
O=C(O)CC1CCC(C(F)(F)F)CC1- InChIKey
FBXGRUYFAGAYKU-UHFFFAOYSA-N- Molecular formula
- C9H13F3O2
- Average molar mass
- 210.19 g/mol
Names & identifiers
- Preferred name
- 2-(4-(Trifluoromethyl)cyclohexyl)acetic acid
- IUPAC
- 2-[4-(trifluoromethyl)cyclohexyl]acetic acid
- English name
- 2-[4-(trifluoromethyl)cyclohexyl]acetic acid
- Molecular formula
- C9H13F3O2
- Molecular weight
- 210.1935296
Names & synonyms
2-[4-(trifluoromethyl)cyclohexyl]acetic acid803736-46-12-(4-(Trifluoromethyl)cyclohexyl)acetic acidRefChem:456600828-546-2SCHEMBL938482SCHEMBL23882319p-trifluoromethylphenyl acetic acidDHB73646p-trifluoro methylphenyl acetic acidMFCD15526995AKOS014084047
Show more names
4-(Trifluoromethyl)cyclohexaneacetic acid[4-(trifluoromethyl)cyclohexyl]acetic acid2-[4-(Trifluoromethyl)cyclohexaneacetic acid
4-(trifluoromethyl)-cyclohexaneacetic acid2-[4-(trifluoromethyl)cyclohexyl]aceticacidCS-0143133EN300-131917A1-32432
Database identifiers
- CAS
803736-46-1- PubChem CID
- 53414873
- EC Number
- 828-546-2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
GHS classification
GHS Classification
Warning
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers8 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏药泽医药科技有限公司18962082606 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
3 records
Compound notes
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