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CAS No.: | 18495-30-2 |
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Name: | 1,1,2,3-TETRACHLOROPROPANE |
Molecular Structure: | |
Formula: | C3H4Cl4 |
Molecular Weight: | 181.877 |
Synonyms: | 1,1,2,3-Tetrachloropropane; |
EINECS: | 242-379-7 |
Density: | 1.462 g/cm3 |
Melting Point: | 179 °C |
Boiling Point: | 177.7 °C at 760 mmHg |
Flash Point: | 63.6 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 2.63630 |
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The Propane,1,1,2,3-tetrachloro-, with the CAS registry number 18495-30-2, is also known as 1,1,2,3-Tetrachloropropane. Its EINECS number is 242-379-7. This chemical's molecular formula is C3H4Cl4 and molecular weight is 181.88.
Physical properties of Propane,1,1,2,3-tetrachloro- are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.6; (6)ACD/BCF (pH 7.4): 47.6; (7)ACD/KOC (pH 5.5): 552.68; (8)ACD/KOC (pH 7.4): 552.68; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 35.26 cm3; (15)Molar Volume: 124.3 cm3; (16)Polarizability: 13.97×10-24 cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 1.462 g/cm3; (19)Flash Point: 63.6 °C; (20)Enthalpy of Vaporization: 39.7 kJ/mol; (21)Boiling Point: 177.7 °C at 760 mmHg; (22)Vapour Pressure: 1.39 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(Cl)Cl)Cl)Cl
(2)InChI: InChI=1S/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2
(3)InChIKey: BUQMVYQMVLAYRU-UHFFFAOYSA-N