CAS 1119088-46-8 2-Chloro-5-nitro-3-phenylpyridine (HCID 46314698)

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Basic information

CAS: 1119088-46-8
Standard SMILES: O=[N+]([O-])c1cnc(Cl)c(-c2ccccc2)c1
InChIKey: NBOFTXBTCLHAJL-UHFFFAOYSA-N
Molecular formula: C11H7ClN2O2
Average molar mass: 234.64 g/mol

Names & identifiers

Preferred name: 2-Chloro-5-nitro-3-phenylpyridine
IUPAC: 2-chloro-5-nitro-3-phenylpyridine
English name: 2-CHLORO-5-NITRO-3-PHENYLPYRIDINE
Molecular formula: C11H7ClN2O2
Molecular weight: 234.64

Names & synonyms

2-chloro-5-nitro-3-phenylpyridine1119088-46-8RefChem:469419837-320-2SCHEMBL2404392NBOFTXBTCLHAJL-UHFFFAOYSA-NUUB08846MFCD147016762-chloranyl-5-nitro-3-phenyl-pyridineG65098EN300-7354530Pyridine, 2-chloro-5-nitro-3-phenyl-

Database identifiers

CAS: 1119088-46-8
PubChem CID: 46314698
EC Number: 837-320-2

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 251

Physicochemical properties

Boiling point: 361.9 · 361.9±42.0 °C(Predicted)
Density: 1.366 · 1.366±0.06 g/cm3(Predicted)
pka: -4.25 · -4.25±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

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, P317, 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.