Methanone, (4-nitrophenyl)phenyl-

HCID 70839

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Basic information

CAS: 1144-74-7
Standard SMILES: O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIKey: ZYMCBJWUWHHVRX-UHFFFAOYSA-N
Molecular formula: C13H9NO3
Average molar mass: 227.21 g/mol
Monoisotopic mass: 227.05824315

Names & identifiers

Preferred name: Methanone, (4-nitrophenyl)phenyl-
IUPAC: (4-nitrophenyl)-phenylmethanone
English name: 4-Nitrobenzophenone
Molecular formula: C13H9NO3
Molecular weight: 227.22

Names & synonyms

4-Nitrobenzophenone1144-74-7p-NitrobenzophenoneMethanone, (4-nitrophenyl)phenyl-4-Nitrophenyl phenyl ketoneBenzophenone, 4-nitro-EINECS 214-542-2NSC 406623DTXSID7061564pNitrobenzophenoneBenzophenone, 4nitroRefChem:811669

Show more names

AKOS BBS-000046104-Nitrobenzophenone>4-Nitrobenzophenone 99%4-Nitrobenzophenone, 98%+4-Nitrobenzophenone, 99+%p-Nitrophenyl phenyl ketone

4Nitrophenyl phenyl ketoneMethanone, (4nitrophenyl)phenylDTXCID9033347214-542-2(4-Nitrophenyl)(phenyl)methanone(4-nitrophenyl)-phenylmethanoneMFCD00007354(4-Nitrophenyl)(phenyl)methanone #

Database identifiers

CAS: 1144-74-7
PubChem CID: 70839
DTXSID: DTXSID7061564
EC Number: 214-542-2
Nikkaji: J96.223F

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 62.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 284

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 136 · 136-138 °C (lit.)
Boiling point: 368.92 °C · 368.92°C (rough estimate)
Density: 1.406 · 1.4060
refractive index: 1.588 · 1.5880 (estimate)
storage temp.: 30 °C · Store below +30°C.
form: powder to crystal
color: White to Light yellow to Green
BRN: 1912753 · 1912753
InChI: InChI=1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H
InChIKey: ZYMCBJWUWHHVRX-UHFFFAOYSA-N
SMILES: C(C1=CC=C([N+]([O-])=O)C=C1)(C1=CC=CC=C1)=O
CAS DataBase Reference: 1144 · 1144-74-7(CAS DataBase Reference)
NIST Chemistry Reference: Methanone, (4-nitrophenyl)phenyl-(1144-74-7)
EPA Substance Registry System: Methanone, (4-nitrophenyl)phenyl- (1144-74-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29147090 · 29147090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.