2,5-Dibromo-3,4-dinitrothiophene

Basic Information

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CAS Number

52431-30-8

Molecular Formula

C4Br2N2O4S

Molecular Weight

331.93 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

135.0 to 139.0 deg-C

Density

2.4590

Water Solubility

Insoluble in water.

Flash Point

160.2℃

SMILES

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C1(=C(SC(=C1[N+](=O)[O-])Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C4Br2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3

InChIKey

AHGHPBPARMANQD-UHFFFAOYSA-N

LogP

4.13590

Complexity

217

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MFCD00015537
FT-0610271
YSWG259
AS-30448
2,5-Dibromo-3,4-dinitro-thiophene
NSC84661
NSC145788
2,5-Dibromo-3,4-dinitrothiophene
NSC-84661
SY013239
J-507289
52431-30-8
SB66866
AKOS000280818
AC-4941
GEO-03863
EN300-250935
C4Br2N2O4S
BP-10009
AMY23195
CS-W013934
NSC-145788
NCIOpen2_009291
2,5-Dibromo-3,4-dinitrothiophene, 99% (GC)
BCP17333
SCHEMBL1086204
DTXSID10292696
D2371
Thiophene, 2,5-dibromo-3,4-dinitro-
2,5-dibromo-3,4-ditnitrothiophene
2,5-Dibromo-3,4-dinitrthiphene

MDL Number

MFCD00015537

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,5-Dibromo-3,4-dinitrothiophene (CAS: 52431-30-8)?

2,5-Dibromo-3,4-dinitrothiophene (CAS: 52431-30-8) is a crystalline solid with a molecular weight of 318.07 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound is highly reactive due to the presence of nitro and bromine groups. It is prone to dissociation and can undergo substitution reactions readily.

How is 2,5-Dibromo-3,4-dinitrothiophene (CAS: 52431-30-8) typically synthesized?

2,5-Dibromo-3,4-dinitrothiophene (CAS: 52431-30-8) can be synthesized via the nitration of 2,5-dibromothiophene followed by the introduction of nitro groups. Commonly, fuming nitric acid and concentrated sulfuric acid are used as the nitration reagents. The reaction is typically carried out under controlled conditions to ensure high selectivity and yield.

What industries use 2,5-Dibromo-3,4-dinitrothiophene (CAS: 52431-30-8)?

2,5-Dibromo-3,4-dinitrothiophene (CAS: 52431-30-8) finds applications in the pharmaceutical industry for the synthesis of various organic compounds, as well as in the polymer industry for the development of new materials. It is also used in the semiconductor industry for sensor fabrication and in the chemical industry for its reactivity in various chemical transformations.

What precautions should be taken when handling 2,5-Dibromo-3,4-dinitrothiophene (CAS: 52431-30-8)?

When handling 2,5-Dibromo-3,4-dinitrothiophene (CAS: 52431-30-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, protective eyewear, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be handled with caution, using appropriate absorbents, and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.