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| Name |
2-Chloro-3-methylthiophene |
EINECS | 238-296-0 |
| CAS No. | 14345-97-2 | Density | 1.237 g/cm3 |
| PSA | 28.24000 | LogP | 2.70990 |
| Solubility | N/A | Melting Point |
153-157 °C |
| Formula | C5H5ClS | Boiling Point | 150 °C at 760 mmHg |
| Molecular Weight | 132.614 | Flash Point | 49.9 °C |
| Transport Information | UN 1993 3/PG 3 | Appearance | clear yellow to yellow-brown liquid |
| Safety | 16-26-39-37/39 | Risk Codes | 10-22-41-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
2-Chloro-3-methyl thiophene;2-chloro-3-methyl-thiophene; |
2-Chloro-3-methylthiophene Synthetic route
- 128-09-6
N-chloro-succinimide
- 616-44-4
3-Methylthiophene
A
- 14345-97-2
2-chloro-3-methylthiophene
B
- 2746-23-8
3-(chloromethyl)thiophene
| Conditions | Yield |
|---|---|
| With tetrachloromethane; dibenzoyl peroxide |
- 616-44-4
3-Methylthiophene
- 14345-97-2
2-chloro-3-methylthiophene
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride | |
| With aluminium trichloride; benzeneseleninyl chloride In chloroform for 3h; Ambient temperature; | 78 % Chromat. |
| With sulfuryl dichloride at 15℃; for 1h; |
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride In acetonitrile |
| Conditions | Yield |
|---|---|
| 35,3 g (52%) |
- 14345-97-2
2-chloro-3-methylthiophene
- 78-59-1
3,5,5-Trimethylcyclohex-2-en-1-one
| Conditions | Yield |
|---|---|
| With 2-(2,6-dimethoxyphenyl)-1-methyl-3-(diphenylphosphino)-1H-indole; palladium diacetate; lithium tert-butoxide In 1,4-dioxane at 100℃; for 1h; Schlenk technique; Inert atmosphere; | 99% |
- 14345-97-2
2-chloro-3-methylthiophene
- 15878-00-9
4-chloro-1H-pyrazole
| Conditions | Yield |
|---|---|
| With tert.-butylnitrite; 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,2-dichloro-ethane at 20℃; for 4h; Irradiation; Schlenk technique; | 95% |
- 14345-97-2
2-chloro-3-methylthiophene
- 124-38-9
carbon dioxide
- 74598-03-1
5-chloro-4-methylthiophen-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With n-butyllithium In diethyl ether 1.) reflux, 2 h, 2.) - 70 deg C; | 89% |
- 14345-97-2
2-chloro-3-methylthiophene
- 140-88-5
ethyl acrylate
| Conditions | Yield |
|---|---|
| With dimethyl 2-((6-methylpyridin-3-yl)methylene)malonate; palladium diacetate; silver fluoride; acetic acid In N,N-dimethyl-formamide at 50℃; for 48h; Schlenk technique; Inert atmosphere; Sealed tube; regioselective reaction; | 87% |
| Conditions | Yield |
|---|---|
| bis(tri-t-butylphosphine)palladium(0); zinc In N,N-dimethyl acetamide at 95℃; for 6h; | 86.4% |
2-Chloro-3-methylthiophene Specification
The 2-Chloro-3-methylthiophene is an organic compound with the formula C5H5ClS. The IUPAC name of this chemical is 2-chloro-3-methylthiophene. With the CAS registry number 14345-97-2, it is also named as Thiophene, 2-chloro-3-methyl-. The product's categories are Thiophenes; Thiophene & Benzothiophene; Thiophens; Functional Materials; Reagents for Conducting Polymer Research; Thiophene Derivatives (for Conduting Polymer Research); Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes Building Blocks. Besides, it is a clear yellow to yellow-brown liquid, which should be stored in a closed dark cool and dry place. It can be used as the organic synthesis intermediates for pharmaceuticals, pesticides and synthetic photosensitive polymer.
Physical properties about 2-Chloro-3-methylthiophene are: (1)ACD/LogP: 3.00; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 112.29; (5)ACD/BCF (pH 7.4): 112.29; (6)ACD/KOC (pH 5.5): 1021.51; (7)ACD/KOC (pH 7.4): 1021.51; (8)Polar Surface Area: 28.24 Å2; (9)Index of Refraction: 1.554; (10)Molar Refractivity: 34.35 cm3; (11)Molar Volume: 107.1 cm3; (12)Polarizability: 13.62×10-24cm3; (13)Surface Tension: 36.8 dyne/cm; (14)Density: 1.237 g/cm3; (15)Flash Point: 49.9 °C; (16)Enthalpy of Vaporization: 37.1 kJ/mol; (17)Boiling Point: 150 °C at 760 mmHg; (18)Vapour Pressure: 4.99 mmHg at 25°C.
Uses of 2-Chloro-3-methylthiophene: it can be used to produce 5-chloro-4-methylthiophen-2-carboxylic acid at temperature of -70 °C. It will need reagent n-butyl-lithium and solvent diethyl ether. The yield is about 89%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful in contact with skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and risk of serious damage to eyes. When you are using it, wear suitable gloves and eye/face protection and keep away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1sccc1C
(2)InChI: InChI=1/C5H5ClS/c1-4-2-3-7-5(4)6/h2-3H,1H3
(3)InChIKey: KQFADYXPELMVHE-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C5H5ClS/c1-4-2-3-7-5(4)6/h2-3H,1H3
(5)Std. InChIKey: KQFADYXPELMVHE-UHFFFAOYSA-N
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