Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(Cl)nc1- InChIKey
BAZVFQBTJPBRTJ-UHFFFAOYSA-N- Molecular formula
- C5H3ClN2O2
- Average molar mass
- 158.54 g/mol
- Monoisotopic mass
- 157.98830502
Names & identifiers
- Preferred name
- 2-Chloro-5-nitropyridine
- IUPAC
- 2-chloro-5-nitropyridine
- English name
- 2-Chloro-5-nitropyridine
- Molecular formula
- C5H3ClN2O2
- Molecular weight
- 158.54
Names & synonyms
2-Chloro-5-nitropyridine4548-45-2Pyridine, 2-chloro-5-nitro-EINECS 224-908-3NSC 4468BRN 0120453AI3-19230DTXSID701965255-20-05-00452 (Beilstein Handbook Reference)RefChem:86313DTXCID10119016224-908-3
Show more names
Chloro-5-nitropyridChloronitropyridinePiroctone Impurity 33-PYRIDINOL, 6-CHLORO-2-Chlor-5-nitropyridin2-choro-5-nitropyridineChloronitropyridine,99%2-Chloro--nitropyridine
4585-45-2BAZVFQBTJPBRTJ-UHFFFAOYSA-NInChI=1/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-32-chloro-5-nitro-pyridine3-Nitro-6-chloropyridine2-chloro-5-nitro pyridineMFCD0000624034515-81-6
Database identifiers
- CAS
4548-45-2- PubChem CID
- 78308
- DTXSID
DTXSID70196525- UNII
- 6L92DZ2L45
- EC Number
- 224-908-3
- Nikkaji
- J31.395E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 105 · 105-108 °C (lit.)
- Boiling point
- 256.6 · 256.6±20.0 °C(Predicted)
- Density
- 1.6616 · 1.6616 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 158 °C · 158°C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -4.22 · -4.22±0.10(Predicted)
- form
- Crystalline Powder
- color
- Light yellow to beige
- Water Solubility
- Solubility in hot methanol. Insoluble in water.
- BRN
- 120453 · 120453
- InChI
- InChI=1S/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H
- InChIKey
- BAZVFQBTJPBRTJ-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C([N+]([O-])=O)C=C1
- CAS DataBase Reference
- 4548 · 4548-45-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Chloro-5-nitropyridine(4548-45-2)
- 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
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 7175000 · US7175000
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (14%): 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPyridine, 2-chloro-5-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (14%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- US7175000
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- 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
Description2-Chloro-5-nitropyridine is an important intermediate in the synthesis of many drugs, such as the antimalarial drug pyronaridine.
Uses2-Chloro-5-nitropyridine is used as a pharmaceutical intermediate.
Uses2-chloro-5-nitropyridine is an important pyridine derivative and is an intermediate for synthesizing bactericides, plant growth regulators, antibiotics and other medicaments.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
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