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5-Bromo-2-thiophenecarboxaldehyde

5-Bromo-2-thiophenecarboxaldehyde structure

CAS No:
4701-17-1
Formula:
C5H3BrOS
Chemical Name:
5-Bromo-2-thiophenecarboxaldehyde
Synonyms:
2-Thiophenecarboxaldehyde,5-bromo-;5-Bromo-2-thiophenecarboxaldehyde;5-Bromo-2-formylthiophene;2-Bromo-5-formylthiophene;2-Bromo-5-thiophenecarboxaldehyde;5-Bromothiophene-2-carbaldehyde;5-Bromo-2-thiophenaldehyde;2-Formyl-5-bromothiophene;5-Bromothiophene-2-aldehyde;5-Bromothiophen-2-carboxaldehyde;5-Bromo-2-thienylaldehyde;5-Bromo-2-carbonylthiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

clear yellow to brown liquid after melting

5-Bromo-2-thiophenecarboxaldehyde Basic Attributes

Molecular Weight：

191.05

Exact Mass：

191.05

BRN：

108404

EC Number：

225-176-8

DSSTox ID：

DTXSID40197004

HScode：

2934999090

Characteristics

PSA：

45.3

XLogP3：

2.4

Appearance：

Clear yellow to brown Liquid After Melting

Density：

1.607 g/mL at 25 °C(lit.)

Melting Point：

104-6ºC

Boiling Point：

115 °C @ Press: 14 Torr

Flash Point：

210 °F

Refractive Index：

n20/D 1.637(lit.)

Water Solubility：

soluble in chloroform and methanol.

Storage Conditions：

0-6°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

36/37/39-26-22-36

Marks：

Xn,Xi

Hazard note：

Irritant/Air Sensitive

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (11.11%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromo-2-thiophenecarboxaldehyde Use and Manufacturing

2.1.1 NBS (1.5 eq, 5.8g, 33 mmol) was added to a solution of thiophene-2-carbaldehyde (1.0 eq., 2 mL, 22 mmol) in a mixture of chloroform/AcOH (10:1, 22 mL) at 0 C in the absence of light. The reaction mixture was stirred at 0 C for 1h. Then the mixture was allowed to warm to rt for 12 hours. The reaction was quenched with an aqueous sat. NaHCO3 solution. The organic layer was washed with brine, dried (MgSO4), filtered, and the solvents were evaporated in vacuo. The crude product was purified (FCC, SiO2, 0-100 percent EtOAc in heptane) to provide the title compound (1.4 g, 35percent).A 25 mL reaction flask was charged with ferrous acetylacetonate (0.025 mmol)Polymethylhydrogensiloxane (0.75 mmol), (0.25 mmol), Id (0.25 mmol), acetonitrile (lmL), water (lmL), the reaction mixture at 80 ° CThe reaction was carried out for 6 h. At the end of the reaction, ammonia water (2 mL) was added to remove the poly (methylene oxide), and 10 mL of saturated brine was added, Extraction (10 mL X 3), the organic phase was combined and the solvent was removed under reduced pressure. Column chromatography gave 87percent yield.To the cold solvent dry DMF (20 ml) at 0 °C, POCl

Computed Properties

Molecular Weight:191.05
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:189.90880
Monoisotopic Mass:189.90880
Topological Polar Surface Area:45.3
Heavy Atom Count:8
Complexity:96.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Chlorobenzene

Carbon tetrachloride

Dimethylformamide

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5-Bromothiophene-2-carbaldehyde

CAS No.: 4701-17-1

Grade: Industrial Grade

Content: 99.0%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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5-Bromothiophene-2-carbaldehyde

CAS No.: 4701-17-1

Content: 99.00%

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Guide of 5-Bromo-2-thiophenecarboxaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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5-Bromo-2-thiophenecarboxaldehyde

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