ChemicalBook--->CAS DataBase List--->54247-05-1

54247-05-1

54247-05-1 Structure

54247-05-1 Structure
IdentificationBack Directory
[Name]

1,3-DINITROBENZENE-D4
[CAS]

54247-05-1
[Synonyms]

m-Dinitrobenzene-d4
1,3-DINITROBENZENE-D4
1,3-DINITROBENZENE-D4, 98 ATOM % D
[Molecular Formula]

C6D4N2O4
[MDL Number]

MFCD00084139
[MOL File]

54247-05-1.mol
[Molecular Weight]

172.13
Chemical PropertiesBack Directory
[Melting point ]

88-90 °C (lit.)
[Boiling point ]

297 °C (lit.)
[Fp ]

150℃
[form ]

solid
[InChI]

1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H/i1D,2D,3D,4D
[InChIKey]

WDCYWAQPCXBPJA-RHQRLBAQSA-N
[SMILES]

[2H]c1c([2H])c(c([2H])c(c1[2H])[N+]([O-])=O)[N+]([O-])=O
[CAS Number Unlabeled]

99-65-0
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS06,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H300+H310+H330-H373-H410
[Precautionary statements ]

P262-P273-P280-P301+P310+P330-P302+P352+P310-P304+P340+P310
[Hazard Codes ]

T+,N
[Risk Statements ]

5-26/27/28-33-40-50/53
[Safety Statements ]

22-36/37/39-45-61-60-36/37-28
[RIDADR ]

UN 3443 6.1/PG 2
[WGK Germany ]

3
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 1 Dermal
Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
Aquatic Acute 1
Aquatic Chronic 1
STOT RE 2
Hazard InformationBack Directory
[Uses]

- Deuterium labeling for metabolic and pharmacokinetic studies
- synthesis of deuterated reference standards
- Isotope effect investigations in reaction mechanisms
- Chemical synthesis of labeled compounds
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-DINITROBENZENE-D4(54247-05-1)Raman
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