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29559-52-2

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Basic Information
CAS No.: 29559-52-2
Name: 1,1,2-TRICHLORO-2-METHYLPROPANE
Molecular Structure:
Molecular Structure of 29559-52-2 (1,1,2-TRICHLORO-2-METHYLPROPANE)
Formula: C4H7Cl3
Molecular Weight: 161.459
Synonyms: 1,1,2-TRICHLORO-2-METHYLPROPANE;Isobutane,1,1,2-trichloro;propane,1,1,2-trichloro-2-methyl-;trichloro-2-methylpropane;trichloromethylpropane;1,1,2-TRICHLORO-2-METHYLPROPANE 98+%
Density: 1.25 g/cm3
Melting Point: -6°C
Boiling Point: 139.5 °C at 760 mmHg
Flash Point: 58.2 °C
PSA: 0.00000
LogP: 2.80750
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Specification

The Propane,1,1,2-trichloro-2-methyl- has CAS registry number 29559-52-2. This chemical's molecular formula is C4H7Cl3 and molecular weight is 161.46. What's more, its systematic name is 1,1,2-trichloro-2-methylpropane.

Physical properties of Propane,1,1,2-trichloro-2-methyl- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 37.55; (6)ACD/BCF (pH 7.4): 37.55; (7)ACD/KOC (pH 5.5): 466.39; (8)ACD/KOC (pH 7.4): 466.39; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 35.05 cm3; (15)Molar Volume: 129.1 cm3; (16)Polarizability: 13.89×10-24cm3; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 58.2 °C; (20)Enthalpy of Vaporization: 36.12 kJ/mol; (21)Boiling Point: 139.5 °C at 760 mmHg; (22)Vapour Pressure: 7.99 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(C)(C)C(Cl)Cl
(2)Std. InChI: InChI=1S/C4H7Cl3/c1-4(2,7)3(5)6/h3H,1-2H3
(3)Std. InChIKey: FRRHZKFKOHHEJR-UHFFFAOYSA-N