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CAS No.: | 465513-98-8 |
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Name: | 4-(1,2,3-THIADIAZOL-4-YL)BENZOYL CHLORIDE |
Molecular Structure: | |
Formula: | C9H5ClN2OS |
Molecular Weight: | 224.6668 |
Synonyms: | 4-(1,2,3-Thiadiazol-4-yl)benzoylchloride; |
Density: | 1.43 g/cm3 |
Melting Point: | 168 ºC |
Boiling Point: | 368.8 °C at 760 mmHg |
Flash Point: | 176.9 °C |
Hazard Symbols: | C |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
PSA: | 71.09000 |
LogP: | 2.58410 |
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The CAS registry number of Benzoylchloride, 4-(1,2,3-thiadiazol-4-yl) is 465513-98-8. This chemical's molecular formula is C9H5ClN2OS and molecular weight is 224.6668. What's more, its systematic name is 4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride. In addition, as a chemical, it may destroy living tissue on contact.
Physical properties about Benzoylchloride, 4-(1,2,3-thiadiazol-4-yl) are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 105.91; (6)ACD/BCF (pH 7.4): 105.91; (7)ACD/KOC (pH 5.5): 979.63; (8)ACD/KOC (pH 7.4): 979.63; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.09 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 55.65 cm3; (15)Molar Volume: 157 cm3; (16)Polarizability: 22.06×10-24cm3; (17)Surface Tension: 59.3 dyne/cm; (18)Density: 1.43 g/cm3; (19)Flash Point: 176.9 °C; (20)Enthalpy of Vaporization: 61.55 kJ/mol; (21)Boiling Point: 368.8 °C at 760 mmHg; (22)Vapour Pressure: 1.24E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c2ccc(c1nnsc1)cc2
(2) InChI: InChI=1/C9H5ClN2OS/c10-9(13)7-3-1-6(2-4-7)8-5-14-12-11-8/h1-5H
(3) InChIKey: SZZWMNJQWMQKRY-UHFFFAOYAE