4-Bromo-2-thiophene carboxylic acid

CAS
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Purity
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CAS
16694-18-1
Size
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Purity
98%
Price
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Availability
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Catalog Number

ACM16694181

Product Name

4-Bromo-2-thiophene carboxylic acid

Structure

Structure

CAS

16694-18-1

Category

Bromine Series

Synonyms

2-Thiophenecarboxylic acid, 4-bromo-, 4-bromothiophene-2-carboxylic acid, ALBB-000933, CID610409, STK301696, 4-BROMO-2-THIOPHENECARBOXYLIC ACID, TL8001284, 16694-18-1

IUPAC Name

4-bromothiophene-2-carboxylic acid

Molecular Weight

207.04

Molecular Formula

C₅H₃BrO₂S

Canonical SMILES

C1=C(SC=C1Br)C(=O)O

InChI Key

HJZFPRVFLBBAMU-UHFFFAOYSA-N

Boiling Point

323.742ºC at 760 mmHg

Melting Point

121ºC

Flash Point

149.594ºC

Density

1.924 g/cm³

Appearance

white to light yellow crystal powder

Exact Mass

205.90400

Hazard Statements

Xn:Harmful;

H-Bond Acceptor

2

H-Bond Donor

1

Safety Description

S22-S26-S36/37/39

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4-Bromo-2-thiophene carboxylic acid?

The molecular formula is C5H3BrO2S.

What is the molecular weight of 4-Bromo-2-thiophene carboxylic acid?

The molecular weight is 207.05 g/mol.

What is the IUPAC name of 4-Bromo-2-thiophene carboxylic acid?

The IUPAC name is 4-bromothiophene-2-carboxylic acid.

What is the InChI of 4-Bromo-2-thiophene carboxylic acid?

The InChI is InChI=1S/C5H3BrO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8).

What is the InChIKey of 4-Bromo-2-thiophene carboxylic acid?

The InChIKey is HJZFPRVFLBBAMU-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-2-thiophene carboxylic acid?

The canonical SMILES is C1=C(SC=C1Br)C(=O)O.

What is the CAS number of 4-Bromo-2-thiophene carboxylic acid?

The CAS number is 16694-18-1.

What is the European Community (EC) number of 4-Bromo-2-thiophene carboxylic acid?

The European Community (EC) number is 679-544-1.

What is the DSSTox Substance ID of 4-Bromo-2-thiophene carboxylic acid?

The DSSTox Substance ID is DTXSID80346211.

Is 4-Bromo-2-thiophene carboxylic acid a canonicalized compound?

Yes, 4-Bromo-2-thiophene carboxylic acid is a canonicalized compound.

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