3,4-Dibromothiophene
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Basic information
- CAS
3141-26-2- 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 propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 58.7
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
- form
- Liquid
- color
- Clear colorless to yellow
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
Chemistry & industry
Applications
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
Upstream raw materials
Downstream products
Related reactions
77 records
Compound notes
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