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Methyl 5-bromo-4-chlorothiophene-2-carboxylate

Methyl 5-bromo-4-chlorothiophene-2-carboxylate - CAS 2090967-58-9

Catalog:	BB076956
Product Name:	Methyl 5-bromo-4-chlorothiophene-2-carboxylate
CAS:	2090967-58-9
Synonyms:	2-Thiophenecarboxylic acid, 5-bromo-4-chloro-, methyl ester; Methyl 5-bromo-4-chloro-2-thiophenecarboxylate

Technical Data

Computed Properties

IUPAC Name:	methyl 5-bromo-4-chlorothiophene-2-carboxylate
Molecular Weight:	255.52
Molecular Formula:	C6H4BrClO2S
Canonical SMILES:	COC(=O)C1=CC(=C(S1)Br)Cl
InChI:	InChI=1S/C6H4BrClO2S/c1-10-6(9)4-2-3(8)5(7)11-4/h2H,1H3
InChI Key:	VLVUUBLIWLTTFA-UHFFFAOYSA-N
Boiling Point:	298.5±35.0°C (Predicted)
Purity:	≥95%
Density:	1.762±0.06 g/cm3 (Predicted)
Storage:	Store at 2-8°C under inert gas (nitrogen or argon)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[452-76-6]
2,4-Difluorotoluene
[4185-62-0]
2-Bromo-1-nitronaphthalene
[393841-81-1]
2'-Bromo-2,7-DI-tert-butyl-9,9'-spirobi[fluorene]

Thiophenes

[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[74556-81-3]
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[13669-10-8]
Ethyl (2-thenoyl)acetate
[610259-52-4]
Ethyl 1-(thiophen-2-ylsulfonyl)piperidine-3-carboxylate

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.88039
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	253.88039
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4