2-Amino-6-chloropyridine-4-carboxylic acid
Basic information
- CAS
6313-55-9- Standard SMILES
Nc1cc(C(=O)O)cc(Cl)n1- InChIKey
XELVYABXHBMJRZ-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O2
- Average molar mass
- 172.57 g/mol
- Monoisotopic mass
- 172.00395508
Names & identifiers
- Preferred name
- 2-Amino-6-chloropyridine-4-carboxylic acid
- IUPAC
- 2-amino-6-chloropyridine-4-carboxylic acid
- English name
- 2-amino-6-chloropyridine-4-carboxylic acid
- Molecular formula
- C6H5ClN2O2
- Molecular weight
- 172.57
Names & synonyms
2-Amino-6-chloropyridine-4-carboxylic acidDTXSID20284986RefChem:464757DTXCID70236137694-369-06313-55-92-amino-6-chloroisonicotinic acidMFCD110363522-amino-6-chloro-pyridine-4-carboxylic acidSCHEMBL7936742-amino-6-chloroisonicotinicacidNSC 40140
Show more names
6-AMINO-2-CHLORO-NICOTINIC ACID2-Amino-6-chloro-4-pyridinecarboxylic acid2-Amino-6-vhloropyridine-4-varboxylic Acid4-Pyridinecarboxylic acid, 2-amino-6-chloro-2-Amino-6-chloropyridine-4-carboxylic acid 95%2-Amino-6-chloropyridine-4-carboxylic acid, 2-Amino-4-carboxy-6-chloropyridine
AKOS005256745EN300-61637Y147162-Amino-6-chloropyridine-4-carboxylic acid, 95%Z385470930NSC44302XELVYABXHBMJRZ-UHFFFAOYSA-NNSC40140
Database identifiers
- CAS
6313-55-9- PubChem CID
- 236986
- DTXSID
DTXSID20284986- EC Number
- 694-369-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 295 · 295-304°C
- Boiling point
- 520.7 · 520.7±50.0 °C(Predicted)
- Density
- 1.577 · 1.577±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 3.66 · 3.66±0.10(Predicted)
- form
- powder
- color
- Off-white
- InChI
- 1S/C6H5ClN2O2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H2,8,9)(H,10,11)
- InChIKey
- XELVYABXHBMJRZ-UHFFFAOYSA-N
- SMILES
- Nc1cc(cc(Cl)n1)C(O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-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.
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 42 reports by companies from 5 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
- 3
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- 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
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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