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3074-71-3

Basic Information
CAS No.: 3074-71-3
Name: 2,3-DIMETHYLHEPTANE
Article Data: 4
Molecular Structure:
Molecular Structure of 3074-71-3 (2,3-DIMETHYLHEPTANE)
Formula: C9H20
Molecular Weight: 128.258
Synonyms: 2,3-Dimethylheptane;(?à)-2,3-Dimethylheptane;
Density: 0.721 g/cm3
Melting Point: -112.99°C
Boiling Point: 140.8 °C at 760 mmHg
Flash Point: 60.1 °C
Solubility: 251.2ug/L(temperature not stated)
Transport Information: UN 1920
PSA: 0.00000
LogP: 3.46870
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    2,3-DIMETHYLHEPTANE Basic information Product Name: 2,3-DIMETHYLHEPTANE Synonyms: 2,3-DIMETHYLHEPTANE;HEPTANE,2,3-DIMETHYL-(SUR);2,3-DIMETHYLHEPTANE 99+%;2 3-DIMETHYLHEPTANE 97%;Heptane, 2,3-dimethyl-

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Specification

This chemical is called Heptane, 2,3-dimethyl-, and its IUPAC name is 2,3-dimethylheptane. With the molecular formula of C9H20, its molecular weight is 128.26. The CAS registry number of this chemical is 3074-71-3. Additionally, its product categories are Acyclic; Alkanes; Organic Building Blocks. This chemical should be sealed in the cool and dry place.

Other characteristics of the Heptane, 2,3-dimethyl- can be summarised as followings: (1)ACD/LogP: 5.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 5.17; (5)ACD/BCF (pH 5.5): 5000.13; (6)ACD/BCF (pH 7.4): 5000.13; (7)ACD/KOC (pH 5.5): 15464.06; (8)ACD/KOC (pH 7.4): 15464.06; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.405; (13)Molar Refractivity: 43.66 cm3; (14)Molar Volume: 177.8 cm3; (15)Polarizability: 17.3×10-24cm3; (16)Surface Tension: 21.9 dyne/cm; (17)Density: 0.721 g/cm3; (18)Flash Point: 60.1 °C; (19)Enthalpy of Vaporization: 36.24 kJ/mol; (20)Boiling Point: 140.8 °C at 760 mmHg; (21)Vapour Pressure: 7.54 mmHg at 25°C.

Production method of this chemical: The Heptane, 2,3-dimethyl- could be obtained by the reactant of 2-chloro-2-methyl-butane. This reaction needs the reagents of AlCl3, (C4H9)4Si, and the solvent of CH2Cl2. The yield is 35 %. In addition, this reaction should be taken for 15 minutes at the ambient temperature.

The Heptane, 2,3-dimethyl- could be obtained by the reactant of 2-chloro-2-methyl-butane

You can still convert the following datas into molecular structure: 
1.SMILES: CC(C)C(C)CCCC
2.InChI: InChI=1/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3
3.InChIKey: WBRFDUJXCLCKPX-UHFFFAOYAW