Basic information
- CAS
86873-60-1- Standard SMILES
O=C(O)c1ccc(Cl)cn1- InChIKey
GJLOKYIYZIOIPN-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO2
- Average molar mass
- 157.55 g/mol
- Monoisotopic mass
- 156.99305605
Overview
structure in first source
Names & identifiers
- Preferred name
- 5-Chloro-2-picolinic acid
- IUPAC
- 5-chloropyridine-2-carboxylic acid
- English name
- 5-Chloropyridine-2-carboxylic acid
- Molecular formula
- C6H4ClNO2
- Molecular weight
- 157.55
Names & synonyms
5-chloro-2-picolinic acidRefChem:5349985-chloropyridine-2-carboxylic Acid86873-60-15-chloropicolinic acid5-chloro-2-pyridinecarboxylic acidMFCD041141925-chloro-picolinic acidSCHEMBL211889CS-W016216AB17962C2736
Show more names
5-Chloro-2-pyridinecarboxylic5-CHLOROPYRIDINE-2-CARBOXYLIC ACID 97%5-chloro-2-picolinic cacid5-Chloro-pyridin-2-carboxylic acid5-CHLORO-2-PYDRIDINECARBOXYLIC ACID2-Pyridinecarboxylic acid, 5-chloro-
5-chloro-pyridine-2-carboxylic acid5-chloro-2-picolinicacidAM200700935-chloropyridinecarboxylic acidDTXSID903765295-chloropyridin-2-carboxylic acidGJLOKYIYZIOIPN-UHFFFAOYSA-N3-Chloropyridine-6-carboxylic aci
Database identifiers
- CAS
86873-60-1- PubChem CID
- 2762872
- DTXSID
DTXSID90376529- EC Number
- 675-004-4
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
- 166 · 166-171℃
- Boiling point
- 310.3 · 310.3±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
- form
- powder to crystal
- pka
- 3.41 · 3.41±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C6H4ClNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
- InChIKey
- GJLOKYIYZIOIPN-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC=C(Cl)C=C1
- CAS DataBase Reference
- 86873 · 86873-60-1(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
GHS classification
GHS Classification
Warning
H302 (82.6%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
Aggregated GHS information provided per 46 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 CategoriesAcute Tox. 4 (82.6%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933399990
- risk_code
- 20/21/22-40-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Harmful
- safety_code
- 22-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses5-Chloropicolinic Acid is an inhibitor of dopamine β-hydroxylase and has antihypertensive activity.
Upstream & downstream products
Upstream raw materials
Related reactions
134 records
Compound notes
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