Basic information
- CAS
23056-36-2- Standard SMILES
O=[N+]([O-])c1ccnc(Cl)c1- InChIKey
LIEPVGBDUYKPLC-UHFFFAOYSA-N- Molecular formula
- C5H3ClN2O2
- Average molar mass
- 158.54 g/mol
- Monoisotopic mass
- 157.98830502
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Chloro-4-nitropyridine
- IUPAC
- 2-chloro-4-nitropyridine
- English name
- 2-Chloro-4-nitropyridine
- Molecular formula
- C5H3ClN2O2
- Molecular weight
- 158.54
Names & synonyms
2-Chloro-4-nitropyridine23056-36-2DTXSID50352743RefChem:86269DTXCID20303808627-980-8Pyridine, 2-chloro-4-nitro-2-chloro-4-nitro-pyridineMFCD006614542-chloro-4nitropyridine2chloro-4-nitropyridineSCHEMBL190411
Show more names
4-Nitro-2-chloropyridine2-ChlAURORA 23245AKOS BBS-000013582-Chloro-4-nitropyriOTAVA-BB BB70175200532-chloro-4-nitropyrine2-Choro-4-nitropyridineoro-4-nitropyridine, 98%
AKOS000320214C2283AJ-333/25006257BCP263672-chloro-4-(nitro)pyridineorb2940321SCHEMBL4927400SCHEMBL4927715
Database identifiers
- CAS
23056-36-2- PubChem CID
- 735152
- DTXSID
DTXSID50352743- EC Number
- 627-980-8
- Nikkaji
- J1.710.515I
Properties
Computed structural properties
- XLogP
- 1.6
- 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
Physicochemical properties
- Melting point
- 52 · 52-56 °C (lit.)
- Boiling point
- 258.4 · 258.4±20.0 °C(Predicted)
- Density
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- Flash point
- 223 °F · 223 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -1.93 · -1.93±0.10(Predicted)
- form
- crystalline powder
- color
- Yellow
- BRN
- 120418 · 120418
- InChI
- InChI=1S/C5H3ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H
- InChIKey
- LIEPVGBDUYKPLC-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC([N+]([O-])=O)=C1
- CAS DataBase Reference
- 23056 · 23056-36-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.9%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-4-nitropyridine may be used to synthesize 2-chloro-4-ethoxypyridine and 4-thiophenoxypyridines.
Uses2-Chloro-4-nitropyridine is used in the preparation of (thio)barbituric acid derivatives in the treatment of obesity related non-alcoholic fatty liver disease. As well it is used in the production of selective and potent MET Kinase inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
179 records
Compound notes
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