Products Categories
| CAS No.: | 69360-26-5 |
|---|---|
| Name: | 2-Cyanobenzenesulphonyl chloride |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H4ClNO2S |
| Molecular Weight: | 201.633 |
| Synonyms: | Benzenesulfonylchloride, o-cyano- (6CI,7CI);2-Cyanobenzene-1-sulfonyl chloride;2-Cyanobenzenesulfonyl chloride;2-Cyanobenzensulfonyl chloride;2-Cyanophenylsulfonyl chloride; |
| Density: | 1.53 g/cm3 |
| Melting Point: | 65-69 °C(lit.) |
| Boiling Point: | 350.9 °C at 760 mmHg |
| Flash Point: | 166 °C |
| Appearance: | beige crystalline powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 1759 8/PG 2 |
| PSA: | 66.31000 |
| LogP: | 2.56658 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 71825-51-92-methyl-2-(4-nitrophenyl)propanenitrile
What can I do for you?
Get Best Price
Specification
The IUPAC name of this chemical is 2-Cyanobenzenesulphonyl chloride. With the CAS registry number 69360-26-5, it is also named as Benzenesulfonylchloride, 2-cyano-. In addition, the molecular formula is C7H4ClNO2S and the molecular weight is 201.63. It is a kind of beige crystalline powder and belongs to the classes of Sulfonylhalide; Benzenesulfonyl chloride; Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. What's more, it should be stored in container which filled with dry inert gases, and put them in a cool and dry place. The storage place must stay away from oxidant.
Physical properties about this chemical are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.61; (6)ACD/BCF (pH 7.4): 11.61; (7)ACD/KOC (pH 5.5): 201.34; (8)ACD/KOC (pH 7.4): 201.34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.31 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 44.96 cm3; (15)Molar Volume: 131.3 cm3; (16)Polarizability: 17.82 ×10-24cm3; (17)Surface Tension: 62.7 dyne/cm; (18)Density: 1.53 g/cm3; (19)Flash Point: 166 °C; (20)Enthalpy of Vaporization: 59.56 kJ/mol; (21)Boiling Point: 350.9 °C at 760 mmHg; (22)Vapour Pressure: 4.25E-05 mmHg at 25°C.
Preparation of 2-Cyanobenzenesulphonyl chloride: it can be prepared by 2-benzylsulfanyl-benzonitrile. This reaction will need reagent NCS and solvents phenylmethanol and CH2Cl2. The reaction time is 59 hours at ambient temperature. The yield is about 62%.
.jpg)
Uses of 2-Cyanobenzenesulphonyl chloride: it can react with 4,5-dichloro-2H-pyridazin-3-one to get 2-(4,5-dichloro-6-oxo-6H-pyridazine-1-sulfonyl)-benzonitrile. This reaction will need reagent K2CO3 and solvent tetrahydrofuran. The reaction time is 4 hours by heating. The yield is about 82%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). Although it is slightly harmful to the water, you can not let a large number of this products contact with the groundwater, the waterway or sewage system. If without government permission, do not put this material into surroundings.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccccc1S(Cl)(=O)=O
(2)InChI: InChI=1/C7H4ClNO2S/c8-12(10,11)7-4-2-1-3-6(7)5-9/h1-4H
(3)InChIKey: NQAYCMBZPAARNO-UHFFFAOYAN