Basic information
- CAS
2102411-83-4- Standard SMILES
O=C(O)c1cc(C(F)(F)F)c2ncccc2c1- InChIKey
CCXWCDUDVJAFKP-UHFFFAOYSA-N- Molecular formula
- C11H6F3NO2
- Average molar mass
- 241.17 g/mol
- Monoisotopic mass
- 241.03506292
Names & identifiers
- Preferred name
- 8-(Trifluoromethyl)quinoline-6-carboxylic acid
- IUPAC
- 8-(trifluoromethyl)quinoline-6-carboxylic acid
- English name
- 6-Quinolinecarboxylic acid, 8-(trifluoromethyl)-
- Molecular formula
- C11H6F3NO2
- Molecular weight
- 241.17
Names & synonyms
8-(trifluoromethyl)quinoline-6-carboxylic acid2102411-83-4MFCD315437868-(TRIFLUOROMETHYL)QUINOLINE-6-CARBOXYLICACIDSCHEMBL21818954CCXWCDUDVJAFKP-UHFFFAOYSA-NCJD41183AKOS037644027AS-43991SY269862DB-1411878-(Trifluoromethyl)-6-quinolinecarboxylic acid
Show more names
6-Quinolinecarboxylic acid, 8-(trifluoromethyl)-
K10247EN300-1451455F539883
Database identifiers
- CAS
2102411-83-4- PubChem CID
- 134129724
Properties
Computed structural properties
- XLogP
- 2
- 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
- 341.7 · 341.7±42.0 °C(Predicted)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.35 · 3.35±0.30(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers11 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
西安峥豪生物科技有限责任公司19829389091 · [email protected]
苏州康润医药有限公司0512-63913329 18962555590 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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