4,4'-Dichloro-3,3'-dinitrobenzophenone

HCID 348301

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Basic information

CAS: 7498-65-9
Standard SMILES: O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey: SOJWEAJNHAWZTG-UHFFFAOYSA-N
Molecular formula: C13H6Cl2N2O5
Average molar mass: 341.1 g/mol
Monoisotopic mass: 339.96537665

Names & identifiers

Preferred name: 4,4'-Dichloro-3,3'-dinitrobenzophenone
IUPAC: bis(4-chloro-3-nitrophenyl)methanone
English name: 4,4'-DICHLORO-3,3'-DINITROBENZOPHENONE
Molecular formula: C13H6Cl2N2O5
Molecular weight: 341.1

Names & synonyms

7498-65-94,4'-Dichloro-3,3'-dinitrobenzophenoneDTXSID50324703RefChem:284590DTXCID30275820625-373-2bis(4-chloro-3-nitrophenyl)methanoneMethanone,bis(4-chloro-3-nitrophenyl)-CHEMBL53082Bis-(4-chloro-3-nitro-phenyl)-methanoneNSC407564starbld0000291

Show more names

Methanone, bis(4-chloro-3-nitrophenyl)-

Oprea1_135852SCHEMBL1258621SOJWEAJNHAWZTG-UHFFFAOYSA-NBDBM50101962EBC-07570AKOS001038364AKOS015916141NSC-407564

Database identifiers

CAS: 7498-65-9
PubChem CID: 348301
DTXSID: DTXSID50324703
ChEMBL: CHEMBL53082
EC Number: 625-373-2
Nikkaji: J1.546.142J

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 109 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 424

Physicochemical properties

Melting point: 132 · 132-134 °C(lit.)
Boiling point: 521.9 · 521.9±50.0 °C(Predicted)
Density: 1.585 · 1.585±0.06 g/cm3(Predicted)
Symbol(GHS): 9 · GHS09,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H400
Precautionary statements: 273 · P273-P391-P501-P280-P305+P351+P338-P310
Hazard Codes: Xi,N
Risk Statements: 41 · 41-50
Safety Statements: 26 · 26-39-61
RIDADR: 3077 · UN 3077 9/PG 3
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.