2-Chloro-5-nitrobenzophenone

HCID 118591

Notes Reactions

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Basic information

CAS: 34052-37-4
Standard SMILES: O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIKey: HRPHZUAPQWJPCZ-UHFFFAOYSA-N
Molecular formula: C13H8ClNO3
Average molar mass: 261.66 g/mol
Monoisotopic mass: 261.0192708

Names & identifiers

Preferred name: 2-Chloro-5-nitrobenzophenone
IUPAC: (2-chloro-5-nitrophenyl)-phenylmethanone
English name: 2-Chloro-5-nitrobenzophenone
Molecular formula: C13H8ClNO3
Molecular weight: 261.66

Names & synonyms

2-Chloro-5-nitrobenzophenone34052-37-4EINECS 251-811-3DTXSID50187658RefChem:469430DTXCID10110149251-811-3(2-Chloro-5-nitrophenyl)(phenyl)methanone(2-chloro-5-nitrophenyl)-phenylmethanoneMFCD000072955-Nitro-2-chlorobenzophenoneAKOS015903927

Show more names

LABOTEST-BB LT001598002-Chloro-5-nitrobenzophenone >2-CHLORO-5-NITROBENZOPHENONE 99+%2-[4-[3-(2-chloro-6H-benzo[c][1,5]benzoxazepin-11-yl)propyl]-1-piperazinyl]ethanol

AS-11957D89456AE-562/434600942-chloro-5-nitrophenyl phenyl ketone2-chloro-5-nitro-benzophenone2-chloro-5-nitro-benzoMethanone, (2-chloro-5-nitrophenyl)phenyl-FT-0611833

Database identifiers

CAS: 34052-37-4
PubChem CID: 118591
DTXSID: DTXSID50187658
EC Number: 251-811-3
Nikkaji: J143.881F

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 62.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 323

Physicochemical properties

Melting point: 83 · 83-85 °C(lit.)
Boiling point: 235 °C · 235°C (rough estimate)
Density: 1.3227 · 1.3227 (rough estimate)
refractive index: 1.52 · 1.5200 (estimate)
solubility: soluble in Methanol
form: powder to crystal
color: White to Orange to Green
InChI: 1S/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey: HRPHZUAPQWJPCZ-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)c2ccccc2
CAS DataBase Reference: 34052 · 34052-37-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 411 · H411
Precautionary statements: 273 · P273-P391-P501
PPE: Eyeshields, Gloves
Hazard Codes: N
Risk Statements: 51 · 51/53
Safety Statements: 61 · 61
RIDADR: 3077 · UN 3077 9/PG 3
WGK Germany: 3 · 3
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Aquatic Chronic 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (97.6%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
ridadr: UN 3077 9/PG 3
hs_code: 29147000
risk_code: 51/53
Signal word: Warning
Symbol(GHS): GHS09
hazard_code: N
safety_code: 61
Storage Class: 11 - Combustible Solids
Hazard statements: H411
Hazard Classifications: Aquatic Chronic 2
Precautionary statements: P273-P391-P501

Chemistry & industry

Applications

Uses2-Chloro-5-nitrobenzophenone is used as a reagent in the synthesis of bile acid transporter inhibitors in the treatment of atherosclerosis. Also used in the synthesis of antiinflammatory agents.