Benzenesulfonyl chloride, 4-(1H-pyrazol-1-yl)- supplier

Name
4-(1H-PYRAZOL-1-YL)BENZENESULFONYL CHLORIDE
EINECS
CAS No. 18336-39-5
Article Data2
CAS DataBase
Density 1.46 g/cm³
Solubility
Melting Point 109℃
Formula C₉H₇ClN₂O₂S
Boiling Point 360.2 °C at 760 mmHg
Molecular Weight 242.686
Flash Point 171.7 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C
Synonyms Benzenesulfonylchloride, p-pyrazol-1-yl- (8CI);4-(1H-Pyrazol-1-yl)benzene-1-sulfonylchloride;4-(1H-Pyrazol-1-yl)benzenesulfonyl chloride;4-(Pyrazol-1-yl)benzenesulfonyl chloride;
PSA 60.34000
LogP 2.88060

Benzenesulfonyl chloride, 4-(1H-pyrazol-1-yl)- Specification

This chemical is called Benzenesulfonyl chloride, 4-(1H-pyrazol-1-yl)-, and its CAS registry number is 18336-39-5. With the molecular formula of C₉H₇ClN₂O₂S, its molecular weight is 242.68.

Other characteristics of the Benzenesulfonyl chloride, 4-(1H-pyrazol-1-yl)- can be summarised as followings: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.93; (6)ACD/BCF (pH 7.4): 15.93; (7)ACD/KOC (pH 5.5): 252.45; (8)ACD/KOC (pH 7.4): 252.45; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 60.34 Å²; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 60.28 cm³; (15)Molar Volume: 165.5 cm³; (16)Polarizability: 23.89×10^-24cm³; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.46 g/cm³; (19)Flash Point: 171.7 °C; (20)Enthalpy of Vaporization: 58.2 kJ/mol; (21)Boiling Point: 360.2 °C at 760 mmHg; (22)Vapour Pressure: 4.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClS(=O)(=O)c1ccc(cc1)n2nccc2
2.InChI: InChI=1/C9H7ClN2O2S/c10-15(13,14)9-4-2-8(3-5-9)12-7-1-6-11-12/h1-7H
3.InChIKey: AHXRGFFTKHQGOE-UHFFFAOYAU

Product Name

4-(1H-PYRAZOL-1-YL)BENZENESULFONYL CHLORIDE

Benzenesulfonyl chloride, 4-(1H-pyrazol-1-yl)- Specification

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