Basic information
- CAS
1211591-26-2- Standard SMILES
O=C(O)c1cc(Cl)c(C(F)(F)F)cn1- InChIKey
DHNYXJDRUJMSSC-UHFFFAOYSA-N- Molecular formula
- C7H3ClF3NO2
- Average molar mass
- 225.55 g/mol
- Monoisotopic mass
- 224.9804405
Names & identifiers
- Preferred name
- 4-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
- IUPAC
- 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
- English name
- 4-Chloro-5-(trifluoromethyl)-pyridine-2-carboxylic acid
- Molecular formula
- C7H3ClF3NO2
- Molecular weight
- 225.55
Names & synonyms
4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acidRefChem:521438939-107-01211591-26-24-Chloro-5-(trifluoromethyl)picolinic acidMFCD182574424-Chloro-5-(trifluoromethyl)-pyridine-2-carboxylic acidSCHEMBL20594047SCHEMBL29423340DHNYXJDRUJMSSC-UHFFFAOYSA-NAKOS015996864AB74932
Show more names
2-Pyridinecarboxylic acid, 4-chloro-5-(trifluoromethyl)-
KG-07194-Chloro-5-(trifluoromethyl)picolinicacidDB-358079CS-0324790
Database identifiers
- CAS
1211591-26-2- PubChem CID
- 71300229
- EC Number
- 939-107-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 301.8 · 301.8±42.0 °C(Predicted)
- Density
- 1.603 · 1.603±0.06 g/cm3(Predicted)
- pka
- 2.76 · 2.76±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 271 · P271-P260
- 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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P271-P260
Chemistry & industry
Suppliers3 total
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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