Trideuterio(nitro)(113C)methane

Base Information

• Chemical Name: Trideuterio(nitro)(113C)methane
• CAS No.: 112898-45-0
• Molecular Formula: CD3 N O2
• Molecular Weight: 65.07
• European Community (EC) Number: 693-243-2
• DSSTox Substance ID: DTXSID10583511
• Wikidata: Q82475081
• Mol file: 112898-45-0.mol

Synonyms:112898-45-0;Trideuterio(nitro)(113C)methane;DTXSID10583511;Nitro(~13~C,~2~H_3_)methane;Nitromethane-13c-d3,99 atom % 13c,99 a tom % d;Nitromethane-13C,d3, 99 atom % 13C, 99 atom % D

Chemical Property of Trideuterio(nitro)(113C)methane

Chemical Property:

• Melting Point: -29 °C(lit.)
• Boiling Point: 101 °C(lit.)
• Flash Point: 95 °F
• PSA: 45.82000
• Density: 1.201 g/mL at 25 °C
• LogP: 0.41610
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 65.038563412
• Heavy Atom Count: 4
• Complexity: 27.5

Purity/Quality:

97% ^*data from raw suppliers

Nitromethane-13C,d3 99 atom % ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 5-10-22
• Safety Statements: 41

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](=O)[O-]
• Isomeric SMILES: [2H][13C]([2H])([2H])[N+](=O)[O-]

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