3-Bromo-4,5-diaminobenzotrifluoride

• Catalog Number: ACM113170722
• Product Name: 3-Bromo-4,5-diaminobenzotrifluoride
• CAS: 113170-72-2
• Category: Bromine Series
• Synonyms: 656003_ALDRICH, 3-Bromo-4,5-diaminobenzotrifluoride, ZINC00152846, CID735785, ST5307892, D1189, 113170-72-2
• IUPAC Name: 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
• Molecular Weight: 255.04
• Molecular Formula: C₇H₆BrF₃N₂
• Canonical SMILES: C1=C(C=C(C(=C1N)N)Br)C(F)(F)F
• InChI Key: OVGAPUVMLZWQQF-UHFFFAOYSA-N
• Boiling Point: 273.9ºC at 760mmHg
• Melting Point: 60-62ºC
• Flash Point: 119.5ºC
• Density: 1.774g/cm³
• Appearance: white to pinkish-brown powder
• Exact Mass: 253.96700
• Hazard Statements: Xn:Harmful
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Safety Description: S26-S36/37/39
• WGK Germany: 3

Custom Q&A

What is the PubChem CID of 3-Bromo-4,5-diaminobenzotrifluoride?

The PubChem CID of 3-Bromo-4,5-diaminobenzotrifluoride is 735785.

What is the molecular formula of 3-Bromo-4,5-diaminobenzotrifluoride?

The molecular formula of 3-Bromo-4,5-diaminobenzotrifluoride is C7H6BrF3N2.

What is the molecular weight of 3-Bromo-4,5-diaminobenzotrifluoride?

The molecular weight of 3-Bromo-4,5-diaminobenzotrifluoride is 255.03 g/mol.

What is the IUPAC name of 3-Bromo-4,5-diaminobenzotrifluoride?

The IUPAC name of 3-Bromo-4,5-diaminobenzotrifluoride is 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine.

What is the InChI of 3-Bromo-4,5-diaminobenzotrifluoride?

The InChI of 3-Bromo-4,5-diaminobenzotrifluoride is InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2.

What is the InChIKey of 3-Bromo-4,5-diaminobenzotrifluoride?

The InChIKey of 3-Bromo-4,5-diaminobenzotrifluoride is OVGAPUVMLZWQQF-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-4,5-diaminobenzotrifluoride?

The canonical SMILES of 3-Bromo-4,5-diaminobenzotrifluoride is C1=C(C=C(C(=C1N)N)Br)C(F)(F)F.

What is the CAS number of 3-Bromo-4,5-diaminobenzotrifluoride?

The CAS number of 3-Bromo-4,5-diaminobenzotrifluoride is 113170-72-2.

What is the EC number of 3-Bromo-4,5-diaminobenzotrifluoride?

The EC number of 3-Bromo-4,5-diaminobenzotrifluoride is 625-719-2.

Is 3-Bromo-4,5-diaminobenzotrifluoride canonicalized?

Yes, 3-Bromo-4,5-diaminobenzotrifluoride is canonicalized.