Basic information
- CAS
398-36-7- Standard SMILES
FC(F)(F)c1ccc(-c2ccccc2)cc1- InChIKey
OUMKBAHMPRLISR-UHFFFAOYSA-N- Molecular formula
- C13H9F3
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.06563477
Names & identifiers
- Preferred name
- 4-Trifluoromethylbiphenyl
- IUPAC
- 1-phenyl-4-(trifluoromethyl)benzene
- English name
- 4-(Trifluoromethyl)-biphenyl
- Molecular formula
- C13H9F3
- Molecular weight
- 222.21
Names & synonyms
398-36-74-trifluoromethylbiphenylDTXSID20432208RefChem:1071722DTXCID503830374-(trifluoromethyl)biphenyl4-(Trifluoromethyl)-1,1'-biphenyl1-phenyl-4-(trifluoromethyl)benzeneMFCD034122874-(Trifluoromethyl)-biphenylp-TrifluoromethylbiphenylCHEMBL242993
Show more names
1,1'-Biphenyl, 4-(trifluoromethyl)-
4-(a,a,a-Trifluoromethyl)biphenylAKOS005259545AC-18838PD181919EN300-11686231Z1736182599OUMKBAHMPR4-Phenylbenzotrifluoride
Database identifiers
- CAS
398-36-7- PubChem CID
- 9877863
- DTXSID
DTXSID20432208- ChEMBL
CHEMBL242993- Nikkaji
- J741.134K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 208
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 70 °C · 70 °C
- Boiling point
- 257.1 · 257.1±35.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hs_code
- 2903998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers42 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
3 records
Compound notes
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