Basic information
- CAS
1034188-31-2- Standard SMILES
O=C(O)c1ccc(C2=CCCCC2)c(C(F)(F)F)c1- InChIKey
GBPKMRHYCIDENN-UHFFFAOYSA-N- Molecular formula
- C14H13F3O2
- Average molar mass
- 270.25 g/mol
- Monoisotopic mass
- 270.08676414
Names & identifiers
- Preferred name
- 4-(Cyclohex-1-en-1-yl)-3-(trifluoromethyl)benzoic acid
- IUPAC
- 4-(cyclohexen-1-yl)-3-(trifluoromethyl)benzoic acid
- English name
- 4-(cyclohex-1-en-1-yl)-3-(trifluoromethyl)benzoic acid
- Molecular formula
- C14H13F3O2
- Molecular weight
- 270.25
Names & synonyms
1034188-31-24-(Cyclohex-1-en-1-yl)-3-(trifluoromethyl)benzoic acidMFCD301464504-(cyclohexen-1-yl)-3-(trifluoromethyl)benzoic acid4-(1-cyclohexen-1-yl)-3-(trifluoromethyl)benzoic acid2-(Trifluoromethyl)-2',3',4',5'-tetrahydro-[1,1'-biphenyl]-4-carboxylic acid2-(Trifluoromethyl)-2',3',4',5'-tetrahydrobiphenyl-4-carboxylic AcidN6LTG8KHB7SCHEMBL2936346AKOS030628579SB18105AS-53082
Show more names
2-(Trifluoromethyl)-2’,3’,4’,5’-tetrahydrobiphenyl-4-carboxylic Acid
SY249419DB-218215CS-0051164P160554-(1-Cyclohexen-1-yl)-3-(trifluoromerhyl)-benzoic acidBenzoic acid, 4-(1-cyclohexen-1-yl)-3-(trifluoromethyl)-2-(Trifluoromethyl)-2',3',4',5'-tetrahydro-[1,1'-biphenyl]-4-carboxylicacid2-(Trifluoromethyl)-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-carboxylic acid
Database identifiers
- CAS
1034188-31-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 361.3 · 361.3±42.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 3.85 · 3.85±0.10(Predicted)
- CAS DataBase Reference
- 1034188 · 1034188-31-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
甘肃德通医药化学技术有限公司18993961550 18993966060 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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