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CAS No.: | 16376-36-6 |
---|---|
Name: | BETA-CHLORALOSE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H11Cl3O6 |
Molecular Weight: | 309.531 |
Synonyms: | Chloralose,b- (8CI);alpha-D-Glucofuranose,1,2-O-(2,2,2-trichloroethylidene)-, (S)-;NSC52806;β-Chloralose; |
EINECS: | 240-429-2 |
Density: | 1.773 g/cm3 |
Melting Point: | 234-236 °C (dec.)(lit.) |
Boiling Point: | 504.4 °C at 760 mmHg |
Flash Point: | 258.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 36 |
Transport Information: | 2811 |
PSA: | 88.38000 |
LogP: | -0.46290 |
This chemical is called (S)-1,2-O-(2,2,2-Trichloroethylidene)-alpha-D-glucofuranose, and its systematic name is 1,2-O-[(1S)-2,2,2-trichloroethylidene]-alpha-D-glucofuranose. With the molecular formula of C8H11Cl3O6, its molecular weight is 309.53. The CAS registry number of this chemical is 16376-36-6.
Other characteristics of the (S)-1,2-O-(2,2,2-Trichloroethylidene)-alpha-D-glucofuranose can be summarised as followings: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 93.93; (8)ACD/KOC (pH 7.4): 93.93; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 58.66 cm3; (15)Molar Volume: 174.5 cm3; (16)Polarizability: 23.25×10-24cm3; (17)Surface Tension: 69.6 dyne/cm; (18)Density: 1.773 g/cm3; (19)Flash Point: 258.9 °C; (20)Enthalpy of Vaporization: 89.11 kJ/mol; (21)Boiling Point: 504.4 °C at 760 mmHg; (22)Vapour Pressure: 2.75E-12 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. Wear suitable protective clothing if you use it.
You can still convert the following datas into molecular structure:
1.SMILES: ClC(Cl)(Cl)[C@H]1O[C@@H]2[C@@H](O)[C@H](O[C@@H]2O1)[C@H](O)CO
2.InChI: InChI=1/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7+/m1/s1
3.InChIKey: OJYGBLRPYBAHRT-GVUNPQSCBW