CAS 98648-23-8 4'-Nitrobiphenyl-4-carboxaldehyde (HCID 2763586)

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Basic information

CAS: 98648-23-8
Standard SMILES: O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIKey: MGHIIGWDUVNPPV-UHFFFAOYSA-N
Molecular formula: C13H9NO3
Average molar mass: 227.21 g/mol
Monoisotopic mass: 227.05824315

Names & identifiers

Preferred name: 4'-Nitrobiphenyl-4-carboxaldehyde
IUPAC: 4-(4-nitrophenyl)benzaldehyde
English name: 4'-Nitro-[1,1'-biphenyl]-4-carboxaldehyde
Molecular formula: C13H9NO3
Molecular weight: 227.22

Names & synonyms

4'-Nitrobiphenyl-4-carboxaldehydeRefChem:506222808-162-198648-23-84'-Nitro-[1,1'-biphenyl]-4-carbaldehyde4-(4-nitrophenyl)benzaldehyde4'-Nitro-[1,1'-biphenyl]-4-carboxaldehyde4'-Nitro[1,1'-biphenyl]-4-carbaldehydeMFCD062009314'-Nitro-biphenyl-4-carboxaldehydeSCHEMBL15802014-nitro[1,1-biphenyl]-4-carbaldehyde

Show more names

4'-Nitrobiphenyl-4-carboxaldehyde>4'-NITRO[1,1'-BIPHENYL]-4-CARBALDEHYDE[1,1'-Biphenyl]-4-carboxaldehyde, 4'-nitro-4-Formyl-4'-nitrobiphenyl, 4-(4-Nitrophenyl)benzaldehyde4′-Nitro-[1,1′-biphenyl]-4-carboxaldehyde, CAS 98648-23-8

4'-nitrobiphenyl-4-carbaldehyde4'-Nitro-biphenyl-4-carbaldehydeAMY331824'-NitrFT-0617964DTXSID303770354-nitrobiphenyl-4'-carboxaldehydeSBB097122

Database identifiers

CAS: 98648-23-8
PubChem CID: 2763586
DTXSID: DTXSID30377035

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: 271

Physicochemical properties

Melting point: 117 · 117-120°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: powder to crystal
color: White to Light yellow
CAS DataBase Reference: 98648 · 98648-23-8
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2913000090 · 2913000090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

hs_code: 2913000090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313