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Basic information
- CAS
1256806-61-7- Standard SMILES
O=C(O)c1cc(C(F)(F)F)ncc1F- InChIKey
HMTABCCRCKKQSM-UHFFFAOYSA-N- Molecular formula
- C7H3F4NO2
- Average molar mass
- 209.1 g/mol
- Monoisotopic mass
- 209.00999099
Names & identifiers
- Preferred name
- 5-Fluoro-2-(trifluoromethyl)pyridine-4-carboxylic acid
- IUPAC
- 5-fluoro-2-(trifluoromethyl)pyridine-4-carboxylic acid
- English name
- 5-Fluoro-2-(trifluoromethyl)-4-pyridinecarboxylic acid
- Molecular formula
- C7H3F4NO2
- Molecular weight
- 209.1
Names & synonyms
1256806-61-75-fluoro-2-(trifluoromethyl)pyridine-4-carboxylic acidRefChem:535789870-105-15-fluoro-2-(trifluoromethyl)isonicotinic acid5-Fluoro-2-(trifluoromethyl)-4-pyridinecarboxylic acidSCHEMBL2394618SCHEMBL31696447MFCD18256606DB-0952805-fluoro-2-(trifluoromethyl)isonicotinicacid5-fluoro-2-trifluoromethylisonicotinoic acid
Show more names
4-Pyridinecarboxylic acid, 5-fluoro-2-(trifluoromethyl)-
H70612EN300-5249481
Database identifiers
- CAS
1256806-61-7- PubChem CID
- 67390994
- EC Number
- 870-105-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Boiling point
- 305.9 · 305.9±42.0 °C(Predicted)
- Density
- 1.573 · 1.573±0.06 g/cm3(Predicted)
- pka
- 2.01 · 2.01±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers8 total
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
1 records
Compound notes
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