3-Bromo-4,5-difluoroaniline

CAS
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Purity
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CAS
875664-41-8
Size
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Purity
98%
Price
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Availability
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Quantity
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Catalog Number

ACM875664418

Product Name

3-Bromo-4,5-difluoroaniline

Structure

Structure

CAS

875664-41-8

Category

Bromine Series

Synonyms

3-Bromo-4,5-difluoroaniline, 875664-41-8, PubChem10124, 3-bromo-4,5-difluorophenylamine, CTK5F8691, MolPort-001-777-002, 3-Bromo-4,5-difluoro-phenylamine, ACT11529, Benzenamine,3-bromo-4,5-difluoro-, ANW-72498, PC7859, QC-243, SBB093956, ZINC12359164, Benzenamine, 3-bromo-4,5-difluoro-, AKOS005257945, AC-3712, AG-H-53424, AM62125, AS04112

IUPAC Name

3-bromo-4,5-difluoroaniline

Molecular Weight

208

Molecular Formula

C₆H₄BrF₂N

Canonical SMILES

C1=C(C=C(C(=C1F)F)Br)N

InChI Key

GYPOUGZGHDSUKH-UHFFFAOYSA-N

Boiling Point

252.8ºC at 760 mmHg

Melting Point

66-69ºC

Flash Point

106.7ºC

Density

1.788g/cm³

Exact Mass

206.95000

Hazard Statements

Xi: Irritant;Xn: Harmful;

H-Bond Acceptor

3

H-Bond Donor

1

Packing Group

III

Safety Description

9-26-36/37

MSDS

COA

Spec Sheet

Download Spec Sheet

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

The molecular formula is C6H4BrF2N.

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

The molecular weight is 208.00 g/mol.

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

The IUPAC name is 3-bromo-4,5-difluoroaniline.

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

The InChI is InChI=1S/C6H4BrF2N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2.

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

The InChIKey is GYPOUGZGHDSUKH-UHFFFAOYSA-N.

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

The canonical SMILES is C1=C(C=C(C(=C1F)F)Br)N.

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

The CAS number is 875664-41-8.

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

The European Community (EC) number is 642-514-3.

What is the DSSTox Substance ID of 3-Bromo-4,5-difluoroaniline?

The DSSTox Substance ID is DTXSID30654737.

What is the XLogP3-AA value of 3-Bromo-4,5-difluoroaniline?

The XLogP3-AA value is 2.1.

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