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CAS No.: | 127184-05-8 |
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Name: | (+)-(8,8-Dichlorocamphorylsulfonyl)oxaziridine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H13Cl2NO3S |
Molecular Weight: | 298.19 |
Synonyms: | 4H-4a,7-Methanooxazirino[3,2-i][2,1]benzisothiazole,8,8-dichlorotetrahydro-9,9-dimethyl-, 3,3-dioxide, [2R-(2a,4aa,7a,8aR*)]-;(+)-[(8,8-Dichlorocamphoryl)sulfonyl]oxaziridine; |
Density: | 1.687 g/cm3 |
Melting Point: | 181-186 °C |
Boiling Point: | 390.471 °C at 760 mmHg |
Flash Point: | 189.95 °C |
Safety: | 22-24/25 |
PSA: | 58.06000 |
LogP: | 2.90210 |
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The (+)-(8,8-Dichlorocamphorylsulfonyl)oxaziridine, with the CAS registry number 127184-05-8, should be stored at 2-8°C. And the molecular formula of the chemical is C10H13Cl2NO3S. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of (+)-(8,8-Dichlorocamphorylsulfonyl)oxaziridine are as followings: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.408; (4)ACD/LogD (pH 7.4): 2.408; (5)ACD/BCF (pH 5.5): 39.814; (6)ACD/BCF (pH 7.4): 39.814; (7)ACD/KOC (pH 5.5): 486.318; (8)ACD/KOC (pH 7.4): 486.318; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 58.06 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 64.297 cm3; (15)Molar Volume: 176.725 cm3; (16)Polarizability: 25.489×10-24cm3; (17)Surface Tension: 63.978 dyne/cm; (18)Density: 1.687 g/cm3; (19)Flash Point: 189.95 °C; (20)Enthalpy of Vaporization: 63.995 kJ/mol; (21)Boiling Point: 390.471 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC1([C@@H]2CCC13CS(=O)(=O)N4[C@@]3(C2(Cl)Cl)O4)C
(2)InChI: InChI=1/C10H13Cl2NO3S/c1-7(2)6-3-4-8(7)5-17(14,15)13-10(8,16-13)9(6,11)12/h6H,3-5H2,1-2H3/t6-,8?,10+,13?/m0/s1
(3)InChIKey: HAMBQYFZDBYWHU-DRHCSTJVBX