2-Amino-3,5-dibromobenzotrifluoride

• CAS: 71757-14-7
• Catalog Number: ACM71757147
• Category: Bromine Series
• Molecular Weight: 318.92
• Molecular Formula: C₇H₄Br₂F₃N
• Synonyms: ZINC00165472, 2-Amino-3,5-dibromobenzotrifluoride, CID737213, SBB005834, D1089, 71757-14-7
• IUPAC Name: 2,4-dibromo-6-(trifluoromethyl)aniline
• Canonical SMILES: C1=C(C=C(C(=C1Br)N)C(F)(F)F)Br
• InChI Key: ZYBKXMTWWFTYKN-UHFFFAOYSA-N
• Boiling Point: 58ºC
• Melting Point: 39-41ºC
• Flash Point: 57-59°C/0.7mm
• Density: 2.023 g/cm³
• Exact Mass: 316.86600
• Hazard Statements: Xn: Harmful;Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Packing Group: III
• Safety Description: 36/37/39-26

Custom Q&A

What is the IUPAC Name of the compound?

The IUPAC Name of the compound is 2,4-dibromo-6-(trifluoromethyl)aniline.

What is the molecular formula of the compound?

The molecular formula of the compound is C7H4Br2F3N.

What is the CAS number of the compound?

The CAS number of the compound is 71757-14-7.

What is the molecular weight of the compound?

The molecular weight of the compound is 318.92 g/mol.

What is the InChIKey of the compound?

The InChIKey of the compound is ZYBKXMTWWFTYKN-UHFFFAOYSA-N.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.5.

How many hydrogen bond donor counts are there in the compound?

There is 1 hydrogen bond donor count in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 4 hydrogen bond acceptor counts in the compound.

How many rotatable bond counts are there in the compound?

There are 0 rotatable bond counts in the compound.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 26Ų.