2-Chloro-6-nitro-4-(trifluoromethyl)aniline

• Catalog Number: ACM57729790
• Product Name: 2-Chloro-6-nitro-4-(trifluoromethyl)aniline
• CAS: 57729-79-0
• Category: Amines
• Synonyms: 656038_ALDRICH, ZINC04240128, SBB003215, 4-Amino-3-chloro-5-nitrobenzotrifluoride, CID2734081, 2-Chloro-6-nitro-4-(trifluoromethyl)aniline, D1249, 57729-79-0
• IUPAC Name: 2-chloro-6-nitro-4-(trifluoromethyl)aniline
• Molecular Weight: 240.57
• Molecular Formula: C₇H₉NS
• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)C(F)(F)F
• InChI Key: JLWRJMVXRUKFPA-UHFFFAOYSA-N
• Boiling Point: 257.6ºC at 760mmHg
• Melting Point: 65-69ºC
• Flash Point: 109.6ºC
• Density: 1.614g/cm³
• Appearance: yellow to orange-brown crystalline powder
• Exact Mass: 239.99100
• Hazard Statements: H302
• H-Bond Acceptor: 6
• H-Bond Donor: 1
• RIDADR: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
• Safety Description: S26-S36
• Symbol: GHS07
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?

The molecular formula is C7H4ClF3N2O2.

What is the molecular weight of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?

The molecular weight is 240.57 g/mol.

What is the IUPAC name of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?

The IUPAC name is 2-chloro-6-nitro-4-(trifluoromethyl)aniline.

What is the InChI of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?

The InChI is InChI=1S/C7H4ClF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2.

What is the InChIKey of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?

The InChIKey is JLWRJMVXRUKFPA-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?

The canonical SMILES is C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)C(F)(F)F.

What is the CAS number of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?

The CAS number is 57729-79-0.

What is the DSSTox Substance ID of 2-Chloro-6-nitro-4-(trifluoromethyl)aniline?

The DSSTox Substance ID is DTXSID50370109.

Is 2-Chloro-6-nitro-4-(trifluoromethyl)aniline a canonicalized compound?

Yes, it is a canonicalized compound.