2,3-Dibromo-4-methylthiophene - CAS 125257-38-7

Catalog:	BB006096
Product Name:	2,3-Dibromo-4-methylthiophene
CAS:	125257-38-7
Synonyms:	2,3-dibromo-4-methylthiophene

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Computed Properties

IUPAC Name:	2,3-dibromo-4-methylthiophene
Description:	2,3-Dibromo-4-methylthiophene (CAS# 125257-38-7) is a reagent used in the synthesis of hyper-branched polymers with tunable branching.
Molecular Weight:	255.96
Molecular Formula:	C5H4Br2S
Canonical SMILES:	CC1=CSC(=C1Br)Br
InChI:	InChI=1S/C5H4Br2S/c1-3-2-8-5(7)4(3)6/h2H,1H3
InChI Key:	WBYLRMUZATVKLP-UHFFFAOYSA-N
Boiling Point:	241 °C
Purity:	98 %
Density:	2.006 g/cm³
MDL:	MFCD13181590
LogP:	3.58150

Publication Number	Title	Priority Date
CA-2009314-A1	Process for the preparation of thiphene derivatives	19890206
DE-3903420-A1	METHOD FOR PRODUCING THIOPHENE DERIVATIVES	19890206
EP-0382106-A2	Process for manufacturing thiophene derivatives	19890206
EP-0382106-B1	Process for manufacturing thiophene derivatives	19890206
US-5100520-A	Process for the preparation of thiophene derivatives	19890206

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Related Functional Groups

Thiophenes

[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[13669-10-8]
Ethyl (2-thenoyl)acetate
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
[350989-99-0]
Ethyl 2-amino-4-(4-ethylphenyl)thiophene-3-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	86.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.83800
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	253.84005
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7