Basic information
- CAS
71082-51-4- Standard SMILES
O=C(O)c1cnc2cc(C(F)(F)F)ccc2c1- InChIKey
YPYGOIBPYXRZJA-UHFFFAOYSA-N- Molecular formula
- C11H6F3NO2
- Average molar mass
- 241.17 g/mol
- Monoisotopic mass
- 241.03506309
Names & identifiers
- Preferred name
- 7-(Trifluoromethyl)quinoline-3-carboxylic acid
- IUPAC
- 7-(trifluoromethyl)quinoline-3-carboxylic acid
- English name
- 7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID
- Molecular formula
- C11H6F3NO2
- Molecular weight
- 241.17
Names & synonyms
7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLIC ACID71082-51-4MFCD11042923SCHEMBL22376CHEMBL3228134DTXSID70652878AKOS015852928DS-0604FS-2883SB71621SY105087DB-031421
Show more names
7-(trifluoromethyl)-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 7-(trifluoromethyl)-7-(Trifluoromethyl)quinoline-3-carboxylic acid, 95%, QA-5112
CS-01568387-(Trifluoromethyl)-quinoline-3-carboxylic acidF076926
Database identifiers
- CAS
71082-51-4- PubChem CID
- 33778264
- DTXSID
DTXSID70652878- ChEMBL
CHEMBL3228134
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 347.7 · 347.7±37.0 °C(Predicted)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.58 · 3.58±0.25(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers50 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
skychemical Co.Ltd021-20958197 20965099 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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