4-Chloro-1-methyl-3-nitro-1,2-dihydropyridin-2-one

HCID 22490301

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Basic information

CAS: 719268-89-0
Standard SMILES: Cn1ccc(Cl)c([N+](=O)[O-])c1=O
InChIKey: SOZKCGXAVVUKIT-UHFFFAOYSA-N
Molecular formula: C6H5ClN2O3
Average molar mass: 188.57 g/mol

Names & identifiers

Preferred name: 4-Chloro-1-methyl-3-nitro-1,2-dihydropyridin-2-one
IUPAC: 4-chloro-1-methyl-3-nitropyridin-2-one
English name: 4-Chloro-1-methyl-3-nitro-1H-pyridin-2-one
Molecular formula: C6H5ClN2O3
Molecular weight: 188.57

Names & synonyms

719268-89-04-chloro-1-methyl-3-nitro-1,2-dihydropyridin-2-oneRefChem:520783892-774-94-chloro-1-methyl-3-nitropyridin-2(1H)-one4-chloro-1-methyl-3-nitro-1H-pyridin-2-oneMFCD259491414-chloro-1-methyl-3-nitropyridin-2-one2(1H)-Pyridinone, 4-chloro-1-methyl-3-nitro-SCHEMBL6286816SOZKCGXAVVUKIT-UHFFFAOYSA-NAKOS037649236

Show more names

4-chloro-1-methyl-3-nitro-1,2-dihydropyridin-2-on e

BS-17469SY4223224-chloro-1-methyl-3-nitro-pyridin-2-oneDB-090617CS-0151176D81193EN300-7947605F694886

Database identifiers

CAS: 719268-89-0
PubChem CID: 22490301
EC Number: 892-774-9

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 302

Physicochemical properties

Boiling point: 256 · 256.0±40.0 °C(Predicted)
Density: 1.52 · 1.52±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -7.03 · -7.03±0.62(Predicted)
Appearance: Light yellow to orange Solid
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501