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CAS No.: | 2233-00-3 |
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Name: | 3,3,3-Trichloropropene |
Molecular Structure: | |
Formula: | C3H3Cl3 |
Molecular Weight: | 145.416 |
Synonyms: | Propene,3,3,3-trichloro- (6CI,7CI,8CI);3,3,3-Trichloro-1-propene;3,3,3-Trichloropropene; |
Density: | 1.354 g/cm3 |
Melting Point: | -30°C |
Boiling Point: | 114.5 °C at 760 mmHg |
Flash Point: | 37.7 °C |
PSA: | 0.00000 |
LogP: | 2.54260 |
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This chemical is called 3,3,3-Trichloropropene, and its systematic name is 3,3,3-trichloroprop-1-ene. With the molecular formula of C3H3Cl3, its molecular weight is 145.41. The CAS registry number of this chemical is 2233-00-3, and its classification code is Mutation data.
Other characteristics of the 3,3,3-Trichloropropene can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.85; (6)ACD/BCF (pH 7.4): 46.85; (7)ACD/KOC (pH 5.5): 546.37; (8)ACD/KOC (pH 7.4): 546.37; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 30.18 cm3; (15)Molar Volume: 107.3 cm3; (16)Polarizability: 11.96×10-24cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 37.7 °C; (20)Enthalpy of Vaporization: 33.83 kJ/mol; (21)Boiling Point: 114.5 °C at 760 mmHg; (22)Vapour Pressure: 23.5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: ClC(Cl)(Cl)\C=C
2.InChI: InChI=1/C3H3Cl3/c1-2-3(4,5)6/h2H,1H2
3.InChIKey: VKEIPALYOJMDAC-UHFFFAOYAY