Basic information
- CAS
5470-22-4- Standard SMILES
O=C(O)c1cc(Cl)ccn1- InChIKey
NNMYRMGMVLMQAY-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO2
- Average molar mass
- 157.55 g/mol
- Monoisotopic mass
- 156.99305605
Names & identifiers
- Preferred name
- 4-Chloropyridine-2-carboxylic acid
- IUPAC
- 4-chloropyridine-2-carboxylic acid
- English name
- 4-Chloropyridine-2-carboxylic acid
- Molecular formula
- C6H4ClNO2
- Molecular weight
- 157.55
Names & synonyms
4-chloropyridine-2-carboxylic acidRefChem:522067676-597-24-Chloropicolinic Acid5470-22-44-Chloro-pyridine-2-carboxylic acid2-PYRIDINECARBOXYLIC ACID, 4-CHLORO-4-Chloro-2-pyridinecarboxylic acidMFCD00191400Sorafenib Tosylate Impurity UF1926-0017SMSSF-0044166
Show more names
4-chloropicolinicChloropicolinicacidIFLAB-BB F1926-00174-ChloropicolinicAciSorafenib Impurity 034-chloro-2-picolinic acid4-CHLOROPICOLINIC ACID 99%4-Chloropicolinic acid ,98%4-Chloropicolinic acid, 97.5%
4-chloro picolinic acidNSC262854-ChloropicolinicacidSorafenib Impurity 484-Chloro-2-carboxypyridineOprea1_356249SCHEMBL202448SCHEMBL31151693
Database identifiers
- CAS
5470-22-4- PubChem CID
- 230890
- DTXSID
DTXSID30282514- EC Number
- 676-597-2
- Nikkaji
- J1.739.902K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 181 °C · 181°C
- Boiling point
- 308 · 308.0±22.0 °C(Predicted)
- Density
- 1.47 · 1.470±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 3.27 · 3.27±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C6H4ClNO2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)
- InChIKey
- NNMYRMGMVLMQAY-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC=CC(Cl)=C1
- CAS DataBase Reference
- 5470 · 5470-22-4(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant/Keep Cold
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloropicolinic Acid is a reactant used in the synthesis of VU0431316, a negative allosteric modulator of mGlu5.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
75 records
Compound notes
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