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39101-54-7

Basic Information
CAS No.: 39101-54-7
Name: 3,5-Dimethylphenylacetonitrile
Article Data: 8
Molecular Structure:
Molecular Structure of 39101-54-7 (3,5-Dimethylphenylacetonitrile)
Formula: C10H11N
Molecular Weight: 145.204
Synonyms: Acetonitrile,(3,5-xylyl)- (6CI,7CI);3,5-Dimethylbenzylcyanide;
EINECS: 254-292-1
Density: 0.98 g/cm3
Melting Point: 41-44 °C
Boiling Point: 254.5 °C at 760 mmHg
Flash Point: 117.5 °C
Hazard Symbols: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes: 20/21/22
Safety: 36/37
PSA: 23.79000
LogP: 2.36948
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    With about ten years experiences in the field of pharmaceutical chemicals, Yierdechem has established solid business cooperation relationships with many large companys worldwide.As a leading supplier of API and pharmaceutical intermediates, holds its

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  • 3,5-Dimethylphenylacetonitrile

  • Casno:

    39101-54-7

    3,5-Dimethylphenylacetonitrile

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    please contact us to confirm the required quantity and quote, we will provide you with COA,NMR,HPLC and other relevant informationAppearance:White crystals Storage:Store in a cool place. Keep container tightly closed in a dry and well-ventilated plac

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    Tel:+86-25-83697070

    Address:Rm.902 Longyin Plaza, No. 217 Zhongshan Rd.(N) Nanjing 210009,China

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  • 3,5-Dimethylphenylacetonitrile

  • Casno:

    39101-54-7

    3,5-Dimethylphenylacetonitrile

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    FINETECH INDUSTRY LIMITED is a LONDON based CRO company providing drug discovery & development services to worldwide clients. FINETECH INDUSTRY LIMITED supplies the 3,5-Dimethylphenylacetonitrile, CAS:39101-54-7 with the most competitive price and th

    Finetech Industry Limited is a company in England,which specializing in developing, manufacturing and marketing fine organic compounds and intermediates for the fine chemical and p

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    Business Type:Trading Company

    Tel:86-27-87465837

    Address:wuhan

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  • 2-(3,5-DiMethylphenyl)acetonitrile

  • Casno:

    39101-54-7

    2-(3,5-DiMethylphenyl)acetonitrile

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    R & D enterprises have their own stock in stockAppearance:To be subject to the object Package:100g Application:pharmaceutical intermediates Transportation:Air Port:Shanghai;Guangzhou

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  • 3,5-Dimethylphenylacetonitrile

  • Casno:

    39101-54-7

    3,5-Dimethylphenylacetonitrile

    Min.Order: 0

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    IKGCHEM is a leading manufacturer and supplier of chemical in China.As a Professional chemical raw material supplier,our products are produced in accordance with ISO 9001:2015 Quality Management System and ISO14001:10536 Environmental Management Syst

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  • Xiamen Ikg Chemical Co., Ltd.

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    Tel:+86 592-6102469

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Specification

The 3,5-Dimethylphenylacetonitrile with the CAS number 39101-54-7 is also called Benzeneacetonitrile,3,5-dimethyl-. The IUPAC name is 2-(3,5-dimethylphenyl)acetonitrile. Its EINECS registry number is 254-292-1. The molecular formula is C10H11N. The product category is Aromatic Nitriles. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.37; (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): 37.2; (6)ACD/BCF (pH 7.4): 37.2; (7)ACD/KOC (pH 5.5): 463.25; (8)ACD/KOC (pH 7.4): 463.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 45.36 cm3; (15)Molar Volume: 148.1 cm3; (16)Polarizability: 17.98×10-24cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Enthalpy of Vaporization: 49.2 kJ/mol; (19)Vapour Pressure: 0.0172 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1cc(cc(c1)C)C
(2)InChI: InChI=1/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3
(3)InChIKey: LMUKNQSVBFEUKR-UHFFFAOYAF