ChemicalBook--->CAS DataBase List--->23784-96-5

23784-96-5

23784-96-5 Structure

23784-96-5 Structure
IdentificationMore
[Name]

2-Chloro-5-chloromethylthiophene
[CAS]

23784-96-5
[Synonyms]

2-CHLORO-5-(CHLOROMETHYL)THIOPHENE
2-CHLORO-5-CHLOROMETHYLTHIOPHENE 98+%
5-Chloro-2-thenyl chloride
[Molecular Formula]

C5H4Cl2S
[MDL Number]

MFCD00009764
[Molecular Weight]

167.06
[MOL File]

23784-96-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to yellow liquid
[Boiling point ]

83-85 °C8 mm Hg(lit.)
[density ]

1.385 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.575(lit.)
[Fp ]

213 °F
[storage temp. ]

-20°C
[form ]

Liquid
[color ]

Colorless to brown
[InChI]

1S/C5H4Cl2S/c6-3-4-1-2-5(7)8-4/h1-2H,3H2
[InChIKey]

MQTKXCOGYOYAMW-UHFFFAOYSA-N
[SMILES]

ClCc1ccc(Cl)s1
[CAS DataBase Reference]

23784-96-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29349990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Ammonium chloride-->Zinc chloride-->1,3,5-trioxane-->2-Chlorothiophene-->5-Chlorothiophene-2-ylmethanol-->Thionyl chloride-->Tetrahydrofuran
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to yellow liquid
[Uses]

2-Chloro-5-(chloromethyl)thiophene was used in the synthesis of 1-(1,1′-biphenyl-4-yl)-3-(5-chloro-thiophen-2-yl)-2-(1H-imidazol-1-yl)propane and 1-(5-chlorothiophen-2-yl)-2-(1H-imidazol-1-yl)-3-phenylpropane.
[Synthesis]

5-Chlorothiophene-2-ylmethanol

74168-69-7

2-Chloro-5-chloromethylthiophene

23784-96-5

Under nitrogen protection, 5-chloro-2-thiophene methanol (500 mg, 3.37 mmol) was dissolved in tetrahydrofuran (10 mL) and cooled to 0 °C. Subsequently, CN (482 mg, 4.05 mmol) was added dropwise. After the dropwise addition, the reaction mixture was warmed up to 50 °C for 3 h, during which the reaction progress was monitored by TLC. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure to afford 480 mg of 2-chloro-5-chloromethylthiophene in yellow liquid form (yield: 85.5%), which could be used directly in the subsequent reaction without further purification.

[References]

[1] Patent: CN107188865, 2017, A. Location in patent: Paragraph 0113; 0116; 0117
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-5-chloromethylthiophene(23784-96-5)1HNMR
2-Chloro-5-chloromethylthiophene(23784-96-5)13CNMR
2-Chloro-5-chloromethylthiophene(23784-96-5)IR1
2-Chloro-5-chloromethylthiophene(23784-96-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Chloro-5-(chloromethyl)thiophene, 97%(23784-96-5)
[Sigma Aldrich]

23784-96-5(sigmaaldrich)
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