5-Bromothiophene-2-sulfonyl chloride - CAS 55854-46-1

Catalog:	BB029200
Product Name:	5-Bromothiophene-2-sulfonyl chloride
CAS:	55854-46-1
Synonyms:	2-Thiophenesulfonyl chloride, 5-bromo-; 5-Bromo-2-thiophenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromothiophene-2-sulfonyl chloride
Molecular Weight:	261.54
Molecular Formula:	C4H2BrClO2S2
Canonical SMILES:	C1=C(SC(=C1)Br)S(=O)(=O)Cl
InChI:	InChI=1S/C4H2BrClO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
InChI Key:	WGYBIEOLAFYDEC-UHFFFAOYSA-N
Boiling Point:	105-110°C at 4 Torr
Melting Point:	40-44°C
Purity:	95%
Density:	1.985±0.06 g/cm3
Appearance:	Off-white or Faint Lemon Crystalline Powder
Storage:	Store at -20°C under inert atmosphere
MDL:	MFCD00084909
LogP:	3.51890

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Related Functional Groups

Thiophenes

[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.83681
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.83681
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3