Heptane, 2,3-dimethyl- supplier

Name
2,3-DIMETHYLHEPTANE
EINECS
CAS No. 3074-71-3
Article Data4
CAS DataBase
Density 0.721 g/cm³
Solubility 251.2ug/L(temperature not stated)
Melting Point -112.99°C
Formula C₉H₂₀
Boiling Point 140.8 °C at 760 mmHg
Molecular Weight 128.258
Flash Point 60.1 °C
Transport Information UN 1920
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3-Dimethylheptane;(?à)-2,3-Dimethylheptane;
PSA 0.00000
LogP 3.46870

Heptane, 2,3-dimethyl- 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

Product Name

2,3-DIMETHYLHEPTANE

Heptane, 2,3-dimethyl- Specification

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