3,4-Dibromothiophene

HCID 18452CAS 3141-26-2
Substructure searchFind similar structures

Basic information

Standard SMILES
Brc1cscc1Br
InChIKey
VGKLVWTVCUDISO-UHFFFAOYSA-N
Molecular formula
C4H2Br2S
Average molar mass
241.93 g/mol
Monoisotopic mass
239.82439526

Names & identifiers

Preferred name
3,4-Dibromothiophene
IUPAC
3,4-dibromothiophene
English name
3,4-Dibromothiophene
Molecular formula
C4H2Br2S
Molecular weight
241.93

Names & synonyms

3,4-DIBROMOTHIOPHENE3141-26-2EINECS 221-546-8DTXSID50185336NSC 99007RefChem:485861Thiophene, 3,4dibromo (8CI)DTXCID60107827Thiophene, 3,4-dibromo-(8CI)Thiophene, 3,4dibromo (8CI)(9CI)Thiophene, 3,4-dibromo-(8CI)(9CI)221-546-8
Show more names
1,2,3,4-Tetra bromo thiopheneS0504TH-2BrbAKOS 933814-DibroMothiophene3,4-Dibromothiphenethiophene,3,4-dibromo-2,5-Dibromotthiophenone3,4-Dibromothiophene>
Thiophene, 3,4-dibromo-3,4-dibromo-thiopheneMFCD00005465Thiophene,4-dibromo-BIDD:GT0493GEO-00977AKOS000282034AC-4900

Database identifiers

CAS
3141-26-2
PubChem CID
18452
DTXSID
DTXSID50185336
EC Number
221-546-8
Nikkaji
J80.649H

Properties

Computed structural properties

XLogP
3
Topological polar surface area
28.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.12 [mmHg]
Physical DescriptionColorless liquid; mp = 4-5 deg C; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
4 · 4-5 °C (lit.)
Boiling point
221 · 221-222 °C (lit.)
Density
2.188 g/mL · 2.188 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.640(lit.)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Thiophene.
Hazard Classes and CategoriesSkin Irrit. 2 (98%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29349990
risk_code
36/37/38-20/21/22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 3 items

Uses3,4-Dibromothiphene is used in the synthesis of thiophene-estrogen receptor ligands which contain superagonist activities when involving luciferase in genes in human cells giving 2-3 times the activit y of estradiol. Also used in the synthesis of supercapacitors for use as charge storage applications.

Uses3,4-Dibromothiophene was used in the preparation of thieno[3,4-b]thiophene. It was aslo used as starting material in the synthesis of alkyl substituted, fused thiophenes.

General DescriptionDouble photoionization spectra of 3,4-dibromothiophene has been investigated by coincidence spectroscopy technique based on electron time-of-flight measurement.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

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Linked notes

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