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31394-54-4

Basic Information
CAS No.: 31394-54-4
Name: Isoheptane
Molecular Structure:
Molecular Structure of 31394-54-4 (Isoheptane)
Formula: C7H16
Molecular Weight: 100.2019
Synonyms: 2-Methylhexan;2-Methylhexane;Hexane, 2-methyl-;
EINECS: 250-610-8
Density: 0.693 g/cm3
Melting Point: -118℃
Boiling Point: 90 °C at 760 mmHg
Flash Point: -11 °C
Appearance: Clear pale yellow to yellow liquid
Hazard Symbols: R11:Highly flammable.; R38:Irritating to skin.; R50/53:Very toxic to aquatic organisms, may cause long-term advers
Risk Codes:  F:Highly flammable;
">  F:Highly flammable;
PSA: 0.00000
LogP: 2.83260
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    We are a trading company aiming at providing high-quality services to customers. Established for many years, with good reputation in the industry Storage:Sealed and preserved Application:Fine chemical intermediates, used as the main raw material for

    Our company has been engaged in the Pharmaceutical raw material and pharmaceutical intermediates medicine material intermediates and related chemical industry for more than ten ye

  • Taizhou volsen chemical Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-576-88869393

    Address:Jiaojiang District, Taizhou, Zhejiang, China.

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  • 31394-54-4

  • Casno:

    31394-54-4

    31394-54-4

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Isoheptane Application:Chromatographic analysis is used as the standard material and used in organic synthesis.

    We are Hebei minshang biotechnology co. LTD., mainly deal in pharmaceutical intermediates and various chemicals. We are manufacturers and have our own factory. Products & Usage Ph

  • Hebei Minshang Biotechnology Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:18032092709

    Address:hebei

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  • ISOHEPTANE

  • Casno:

    31394-54-4

    ISOHEPTANE

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    ISOHEPTANE Storage:Store in dry and cool condition Package:25kg or according to cutomer's demand Application:Chemical research/Pharmaceutical intermediates Transportation:By Sea,by Air,By courier like DHL or Fedx. Port:Shanghai/Shenzhen

    Nanjing Raymon Biotech Co., Ltd. is specialized in developing and marketing middle & high level pharmaceutical intermediates. We are supplying different categories of high-quality

  • Nanjing Raymon Biotech Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:86-025-52181296

    Address:Block B, No. 918, Shuanglong Avenue

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  • CSR160805-24632

  • Casno:

    31394-54-4

    CSR160805-24632

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Purity, Prompt shipment, Price Application:surface active agent

    Skyrun Industrial Co.Limited (CSR Ind), established in 2003, a state-controlled company(By Skyrun Corp. & High Hope) in China, specializing in developing, producing and handing ra

  • Skyrun Industrial Co.,Ltd

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:0086-576-84610586

    Address:Chemical Development Zone

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  • Isoheptane

  • Casno:

    31394-54-4

    Isoheptane

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Isoheptane Application:Isoheptane

    Hangzhou Fenjunchem Co.,Ltd dedicated to the development, production and marketing of chemicals which is specialized in Organic compounds; Active Pharmaceutical Ingredient(s); Nutr

  • Hangzhou Fenjun Chemical Co Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-0571-56263321

    Address:hangzhou

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Specification

The Isoheptane, with the CAS registry number 31394-54-4 and EINECS registry number 250-610-8, has the systematic name and IUPAC name of 2-methylhexane. It should be stored in sealed containers, and should keep dry and cool at the same time. And the molecular formula of the chemical is C7H16.

The characteristics of Isoheptane are as followings: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1074.33; (6)ACD/BCF (pH 7.4): 1074.33; (7)ACD/KOC (pH 5.5): 5143.83; (8)ACD/KOC (pH 7.4): 5143.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.392; (14)Molar Refractivity: 34.43 cm3; (15)Molar Volume: 144.4 cm3; (16)Polarizability: 13.65×10-24cm3; (17)Surface Tension: 20.6 dyne/cm; (18)Density: 0.693 g/cm3; (19)Enthalpy of Vaporization: 30.62 kJ/mol; (20)Boiling Point: 90 °C at 760 mmHg; (21)Vapour Pressure: 64.7 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)CCCC
(2)InChI: InChI=1/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
(3)InChIKey: GXDHCNNESPLIKD-UHFFFAOYAR