6-Chloro-5-nitropyridine-3-carboxylic acid
Basic information
- CAS
7477-10-3- Standard SMILES
O=C(O)c1cnc(Cl)c([N+](=O)[O-])c1- InChIKey
HCRHNMXCDNACMH-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O4
- Average molar mass
- 202.55 g/mol
- Monoisotopic mass
- 201.9781343
Names & identifiers
- Preferred name
- 6-Chloro-5-nitropyridine-3-carboxylic acid
- IUPAC
- 6-chloro-5-nitropyridine-3-carboxylic acid
- English name
- 2-Chloro-3-nitro-5-pyridinecarboxylic acid
- Molecular formula
- C6H3ClN2O4
- Molecular weight
- 202.55
Names & synonyms
6-chloro-5-nitropyridine-3-carboxylic acidRefChem:541804690-443-16-CHLORO-5-NITRONICOTINIC ACID7477-10-33-Pyridinecarboxylicacid, 6-chloro-5-nitro-MFCD090272976-CHLORO-5-NITRONICOTINICACID6-CHLORO-5-NITRO-3-PYRIDINECARBOXYLIC ACID6-Chloro-5-nitro-nicotinic acidAKOS015851214CS-W008886
Show more names
NSC 4046956-Chloro-5-Nitro Niacin6-Chloro-5-nitronicotinicAci5-Nitro-6-chloronicotinic acid6-Chloro-5-nitropyridin-3-carboxylic acid3-Pyridinecarboxylic acid, 6-chloro-5-nitro-6-Chloro-5-nitropyridine-3-carboxylic acid, 5-Carboxy-2-chloro-3-nitropyridine6-Chloro-5-nitronicotinic acid 2 kgs2-Chloro-3-nitropyridine-5-carboxylic acid, 6-Chloro-5-nitropyridine-3-carboxylic acid, 5-Carboxy-2-chloro-3-nitropyridine
NSC-404695Z12691913782-Chloro-3-nitro-5-pyridinecarboxylic acidAM9868NSC404695DTXSID9032Chloro-5-nitronicotinic acidSCHEMBL487379
Database identifiers
- CAS
7477-10-3- PubChem CID
- 346459
- DTXSID
DTXSID90323699- EC Number
- 690-443-1
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 401.3 · 401.3±45.0 °C(Predicted)
- Density
- 1.702 · 1.702
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 2.62 · 2.62±0.10(Predicted)
- Appearance
- Light brown to gray Solid
- InChI
- InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)
- InChIKey
- HCRHNMXCDNACMH-UHFFFAOYSA-N
- SMILES
- C1=NC(Cl)=C([N+]([O-])=O)C=C1C(O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- 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 (81.8%): 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)
Aggregated GHS information provided per 22 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 CategoriesAcute Tox. 4 (81.8%)
Safety data
- hs_code
- 2933399990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-3-nitro-5-pyridinecarboxylic acid is mainly used in organic synthesis and experimental research.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
17 records
Compound notes
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