4,5-Dibromothiophene-2-carboxylic Acid - CAS 6324-10-3

Catalog:	BB032074
Product Name:	4,5-Dibromothiophene-2-carboxylic Acid
CAS:	6324-10-3
Synonyms:	4,5-dibromo-2-thiophenecarboxylic acid; 4,5-dibromothiophene-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,5-dibromothiophene-2-carboxylic acid
Description:	4,5-Dibromothiophene-2-carboxylic Acid (CAS# 6324-10-3) is a useful research chemical.
Molecular Weight:	285.94
Molecular Formula:	C5H2Br2O2S
Canonical SMILES:	C1=C(SC(=C1Br)Br)C(=O)O
InChI:	InChI=1S/C5H2Br2O2S/c6-2-1-3(5(8)9)10-4(2)7/h1H,(H,8,9)
InChI Key:	USFXRYVNRUMABJ-UHFFFAOYSA-N
Boiling Point:	367.1 °C / 760 mmHg
Density:	2.309 g/cm³
Storage:	Keep in dark place. Inert atmosphere. Keep cold.
MDL:	MFCD00039682
LogP:	2.97130

Publication Number	Title	Priority Date
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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.81218
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	283.81423
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2