5-Chloro-3-nitropyridine-2-carbonitrile
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Basic information
- CAS
181123-11-5- Standard SMILES
N#Cc1ncc(Cl)cc1[N+](=O)[O-]- InChIKey
UFTRTPYMNGYVGO-UHFFFAOYSA-N- Molecular formula
- C6H2ClN3O2
- Average molar mass
- 183.55 g/mol
- Monoisotopic mass
- 182.98355398
Names & identifiers
- Preferred name
- 5-Chloro-3-nitropyridine-2-carbonitrile
- IUPAC
- 5-chloro-3-nitropyridine-2-carbonitrile
- English name
- 5-Chloro-3-nitropyridine-2-carbonitrile
- Molecular formula
- C6H2ClN3O2
- Molecular weight
- 183.55
Names & synonyms
5-Chloro-3-nitropyridine-2-carbonitrileRefChem:534736816-162-85-Chloro-2-Cyano-3-Nitropyridine181123-11-55-chloro-3-nitropicolinonitrile2-Pyridinecarbonitrile, 5-chloro-3-nitro-MFCD066575525-chloro-3-nitro-pyridine-2-carbonitrile5-chloro-3-nitro-2-pyridinecarbonitrileNSC141226SCHEMBL3931505
Show more names
oro-2-cyano-3-nitropyridine5-Chloro-3-nitro-2-cynopyridine2-CYANO-5-CHLORO-3-NITROPYRIDINE2-cyano-3-nitro-5-chloropyridine5-chloro-3-nitro-picolinonitrile5-Chloro-3-nitro-2-cyano-pyridine5-CHLORO-2-CYANO-3-NITROPYRIDINE 98+%5-Chloro-3-nitropyridin-2-carbonitrile
DTXSID20301127UFTRTPYMNGYVGO-UHFFFAOYSA-NAB2773SBB055717AKOS006283486AB25606AC-5433CS-W018920
Database identifiers
- CAS
181123-11-5- PubChem CID
- 284909
- DTXSID
DTXSID20301127- EC Number
- 816-162-8
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 94 · 94-97°
- Boiling point
- 329.5 · 329.5±42.0 °C(Predicted)
- Density
- 1.57 · 1.57
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -6 · -6+-.0.20(Predicted)
- form
- solid
- color
- Yellow
- CAS DataBase Reference
- 181123 · 181123-11-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37
- HazardClass
- IRRITANT
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2933599590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
5 records
Compound notes
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