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3,4-Dibromothiophene

3,4-Dibromothiophene structure

CAS No:
3141-26-2
Formula:
C4H2Br2S
Chemical Name:
3,4-Dibromothiophene
Synonyms:
Thiophene,3,4-dibromo-;3,4-Dibromothiophene;NSC 99007
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

3,4-Dibromothiophene is clear colorless to yellow liquid

3,4-Dibromothiophene Basic Attributes

Molecular Weight：

241.93

Exact Mass：

241.93

BRN：

107642

EC Number：

221-546-8

NSC Number：

99007

DSSTox ID：

DTXSID50185336

HScode：

29349990

Characteristics

PSA：

28.2

XLogP3：

Appearance：

Clear colorless to yellow Liquid

Density：

2.188 g/mL at 25 °C(lit.)

Melting Point：

4.5 °C

Boiling Point：

221.5 °C

Flash Point：

>230 °F

Refractive Index：

n20/D 1.640(lit.)

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Refrigerator (approx 4ºC).

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

26-36-36/37/39

Marks：

Xi,Xn

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.87%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,4-Dibromothiophene Use and Manufacturing

3,4-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 activity of estradiol. Also used in the synthesis of supercapacitors for use as charge storage applications.

Computed Properties

Molecular Weight:241.93
XLogP3:3
Hydrogen Bond Acceptor Count:1
Exact Mass:241.82235
Monoisotopic Mass:239.82440
Topological Polar Surface Area:28.2
Heavy Atom Count:7
Complexity:58.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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