2,5-Dibromothiophene

HCID 18453
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Basic information

CAS
3141-27-3
Standard SMILES
Brc1ccc(Br)s1
InChIKey
KBVDUUXRXJTAJC-UHFFFAOYSA-N
Molecular formula
C4H2Br2S
Average molar mass
241.93 g/mol
Monoisotopic mass
239.82439526

Names & identifiers

Preferred name
2,5-Dibromothiophene
IUPAC
2,5-dibromothiophene
English name
2,5-Dibromothiophene
Molecular formula
C4H2Br2S
Molecular weight
241.93

Names & synonyms

2,5-DIBROMOTHIOPHENE3141-27-3Thiophene, 2,5-dibromo-UNII-F0033K8CXMF0033K8CXMNSC 4488NSC-4488EINECS 221-547-3AI3-08106DTXSID3062863Thiophene, 2,5dibromoRefChem:82782
Show more names
DibromothiopheneS0505TH-2Bra2,5 DBT2,5-Dibromthiophen2,5-Bromo Thiophene2,5-dibromo-thiophen2,5-Dibromlthiophene
DTXCID8038358221-547-3InChI=1/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2KBVDUUXRXJTAJC-UHFFFAOYSA-N2,5-dibromo-thiopheneMFCD0000542073061-85-5NSC4488

Database identifiers

CAS
3141-27-3
PubChem CID
18453
DTXSID
DTXSID3062863
UNII
F0033K8CXM
EC Number
221-547-3
Nikkaji
J25.468A

Properties

Computed structural properties

XLogP
3.7
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 PropertiesNuclear quadrupole resonance spectroscopy
LogP4.15
Vapor Pressure0.06 [mmHg]
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
-6 °C · -6 °C (lit.)
Boiling point
211 °C · 211 °C (lit.)
Density
2.147 g/mL · 2.147 g/mL at 25 °C (lit.)
refractive index
1.627 · 1.627-1.63
Flash point
99 °C · 99 °C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (12.2%): Fatal if swallowed [Danger Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+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; [Sigma-Aldrich MSDS] See 2,5-Dichlorothiophene.
Hazard Classes and CategoriesAcute Tox. 2 (12.2%)

Safety data

wgk
3
tsca
TSCA listed
ridadr
UN2810
hs_code
29349990
risk_code
68-43-36/37/38-28-20/21
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationThiophene, 2,5-dibromo-: ACTIVE
Applications · 3 items

Uses2,5-Dibromothiophene, is mainly used as pharmaceutical intermediate and synthesis intermediate.

Uses2,5-Dibromothiophene was used as starting reagent for the synthesis of α,α′-didecylquater-, -quinque- and -sexi-thiophenes. It was used in the preparation of soluble α,ω-diformyl-a-oligothiophenes.

General Description2,5-Dibromothiophene polymerizes by debromination with magnesium catalyzed by nickel compounds to form poly(2,5- thienylene) .

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

49 records
New reaction record

Compound notes

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