2-Amino-3,5-dibromobenzotrifluoride

CAS
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Purity
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CAS
71757-14-7
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM71757147

Product Name

2-Amino-3,5-dibromobenzotrifluoride

Structure

Structure

CAS

71757-14-7

Category

Bromine Series

Synonyms

ZINC00165472, 2-Amino-3,5-dibromobenzotrifluoride, CID737213, SBB005834, D1089, 71757-14-7

IUPAC Name

2,4-dibromo-6-(trifluoromethyl)aniline

Molecular Weight

318.92

Molecular Formula

C₇H₄Br₂F₃N

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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 26Å².

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