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CAS No.: | 36798-98-8 |
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Name: | 2-chloro-10H-phenothiazine-10-carbonyl chloride |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C13H7Cl2NOS |
Molecular Weight: | 296.177 |
Synonyms: | Phenothiazine-10-carbonylchloride, 2-chloro- (6CI,7CI,8CI);2-Chloro-10-chlorocarbonylphenothiazine; |
EINECS: | 253-220-6 |
Density: | 1.521 g/cm3 |
Boiling Point: | 459.1 °C at 760 mmHg |
Flash Point: | 231.5 °C |
PSA: | 45.61000 |
LogP: | 5.36650 |
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The CAS registry number of 10H-Phenothiazine-10-carbonylchloride, 2-chloro- is 36798-98-8. Its EINECS registry number is 253-220-6. The IUPAC name is 2-chlorophenothiazine-10-carbonyl chloride. In addition, the molecular formula is C13H7Cl2NOS and the molecular weight is 296.17. What's more, it should be stored in a cool and dry place.
Physical properties about 10H-Phenothiazine-10-carbonylchloride, 2-chloro- are: (1)ACD/LogP: 4.46; (2)ACD/LogD (pH 5.5): 4.46; (3)ACD/LogD (pH 7.4): 4.46; (4)ACD/BCF (pH 5.5): 1446.09; (5)ACD/BCF (pH 7.4): 1446.09; (6)ACD/KOC (pH 5.5): 6363.07; (7)ACD/KOC (pH 7.4): 6363.07; (8)#H bond acceptors: 2; (9)Polar Surface Area: 45.61 Å2; (10)Index of Refraction: 1.699; (11)Molar Refractivity: 75.22 cm3; (12)Molar Volume: 194.6 cm3; (13)Polarizability: 29.82 ×10-24cm3; (14)Surface Tension: 61.1 dyne/cm; (15)Density: 1.521 g/cm3; (16)Flash Point: 231.5 °C; (17)Enthalpy of Vaporization: 71.96 kJ/mol; (18)Boiling Point: 459.1 °C at 760 mmHg; (19)Vapour Pressure: 1.3E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)N1c3c(Sc2c1cc(Cl)cc2)cccc3
(2)InChI: InChI=1/C13H7Cl2NOS/c14-8-5-6-12-10(7-8)16(13(15)17)9-3-1-2-4-11(9)18-12/h1-7H
(3)InChIKey: WIUVDRZGTJXTCE-UHFFFAOYAT