3-Nitroaniline-N,N-d2

Base Information

• Chemical Name: 3-Nitroaniline-N,N-d2
• CAS No.: 45788-54-3
• Molecular Formula: C₆H₆N₂O₂
• Molecular Weight: 140.11
• European Community (EC) Number: 693-542-8
• DSSTox Substance ID: DTXSID30480811
• Mol file: 45788-54-3.mol

Synonyms:3-Nitroaniline-N,N-d2;45788-54-3;N,N-dideuterio-3-nitroaniline;DTXSID30480811;3-Nitroaniline-N,N-d2, 98 atom % D

Chemical Property of 3-Nitroaniline-N,N-d2

Chemical Property:

• Melting Point: 112-114?°C(lit.)
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 140.055480930
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-33-52/53
• Safety Statements: 28-36/37-45-61

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])N
• Isomeric SMILES: [2H]N([2H])C1=CC(=CC=C1)[N+](=O)[O-]