4-Amino-3,5-dinitrobenzotrifluoride

• CAS: 445-66-9
• Catalog Number: ACM445669
• Category: Amines
• Molecular Weight: 251.12
• Molecular Formula: C₇H₄F₃N₃O₄
• Synonyms: 559520_ALDRICH, 4-Amino-3,5-dinitrobenzotrifluoride, CID9936, ZINC03874102, 2,6-Dinitro-4-(trifluoromethyl)benzenamine, Benzenamine, 2,6-dinitro-4-(trifluoromethyl)-, ST5032053, 2,6-DINITRO-4-(TRIFLUOROMETHYL)-BENZENAMINE, 445-66-9
• IUPAC Name: 2,6-dinitro-4-(trifluoromethyl)aniline
• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(F)(F)F
• InChI Key: VACNDKUQVLNNLD-UHFFFAOYSA-N
• Boiling Point: 313.1ºC at 760 mmHg
• Melting Point: 144-149ºC(lit.)
• Flash Point: 143.1ºC
• Density: 1.686 g/cm³
• Exact Mass: 251.01500
• Hazard Statements: H302
• H-Bond Acceptor: 8
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: 26-36
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4-Amino-3,5-dinitrobenzotrifluoride?

The molecular formula of 4-Amino-3,5-dinitrobenzotrifluoride is C7H4F3N3O4.

What is the molecular weight of 4-Amino-3,5-dinitrobenzotrifluoride?

The molecular weight of 4-Amino-3,5-dinitrobenzotrifluoride is 251.12 g/mol.

What is the IUPAC name of 4-Amino-3,5-dinitrobenzotrifluoride?

The IUPAC name of 4-Amino-3,5-dinitrobenzotrifluoride is 2,6-dinitro-4-(trifluoromethyl)aniline.

What is the InChI of 4-Amino-3,5-dinitrobenzotrifluoride?

The InChI of 4-Amino-3,5-dinitrobenzotrifluoride is InChI=1S/C7H4F3N3O4/c8-7(9,10)3-1-4(12(14)15)6(11)5(2-3)13(16)17/h1-2H,11H2.

What is the InChIKey of 4-Amino-3,5-dinitrobenzotrifluoride?

The InChIKey of 4-Amino-3,5-dinitrobenzotrifluoride is VACNDKUQVLNNLD-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Amino-3,5-dinitrobenzotrifluoride?

The Canonical SMILES of 4-Amino-3,5-dinitrobenzotrifluoride is C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C(F)(F)F.

What is the CAS number of 4-Amino-3,5-dinitrobenzotrifluoride?

The CAS number of 4-Amino-3,5-dinitrobenzotrifluoride is 445-66-9.

What is the European Community (EC) number of 4-Amino-3,5-dinitrobenzotrifluoride?

The European Community (EC) number of 4-Amino-3,5-dinitrobenzotrifluoride is 626-240-1.

What is the UNII of 4-Amino-3,5-dinitrobenzotrifluoride?

The UNII of 4-Amino-3,5-dinitrobenzotrifluoride is P9BDZ5UC73.

Is 4-Amino-3,5-dinitrobenzotrifluoride canonicalized?

Yes, 4-Amino-3,5-dinitrobenzotrifluoride is canonicalized.