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7567-63-7

Basic Information
CAS No.: 7567-63-7
Name: 1,3,5-TRIETHYNYLBENZENE
Article Data: 70
Molecular Structure:
Molecular Structure of 7567-63-7 (1,3,5-TRIETHYNYLBENZENE)
Formula: C12H6
Molecular Weight: 150.18
Synonyms: 1,3,5-Triethynylbenzene;benzene, 1,3,5-triethynyl-;
Density: 1.054 g/cm3
Melting Point: 105-107°C
Boiling Point: 272.258 °C at 760 mmHg
Flash Point: 107.62 °C
Solubility: Soluble in methanol. Insoluble in water.
Hazard Symbols: Xi
Risk Codes: 10-20/21-36/37/38-65
Safety: 16-26-36/37/39
Transport Information: 1325
PSA: 0.00000
LogP: 1.63050
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    Henan Sunlake Enterprise Corporation is located in Henan Province , the central plain of China , which enjoys favorable geogeaphical position and convenient transportion. The compa

  • HENAN SUNLAKE ENTERPRISE CORPORATION

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-371- 86259723

    Address:Mingmen International Center, NO.222 Dongming Road,Zhengzhou,Henan,China

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  • 1,3,5-TRIETHYNYLBENZENE

  • Casno:

    7567-63-7

    1,3,5-TRIETHYNYLBENZENE

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Changzhou Extraordinary Pharmatech co., LTD. As a leading chemical manufacturer and supplier in China.DAS authentication is passed.We can provide the popular precursor chemicals, we have our own strong R & D team, have our own laboratories and fa

    Changzhou Extraordinary Pharmatech co., LTD. Is a full technical team and for the development of hardware and software facilities manufacturing enterprises,The company is located i

  • Changzhou Extraordinary Pharmatech co.,LTD

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86 519 82111935

    Address:Chinese Jiangsu Province Changzhou City Jintan District Jincheng Town Miaotou NO4(Pharmaceutical Park)

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  • 7567-63-7

  • Casno:

    7567-63-7

    7567-63-7

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-2.0

    Run-Biotech provides a broad and integrated portfolio of services throughout the drug R&D process. Our services are designed to help our worldwide customers shorten the discovery and development time and lower the cost of drug and medical devic

    Shanghai fine pharma co., Ltd. is a professional enterprise with chemical reagents and fine chemical products development, development and trade. The company has a sound research a

  • Shanghai Run-Biotech Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-21-31576854/57171705 / 57171706

    Address:second floor, building 3, No.999, jiangyue Road, minghang District, Shanghai, China

       Inquiry Now

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Specification

The Benzene,1,3,5-triethynyl-, with the CAS registry number 7567-63-7, has the systematic name and IUPAC name of 1,3,5-triethynylbenzene. It belongs to the following product categories: Aromatic Hydrocarbons (substituted) & Derivatives. The molecular formula of the chemical is C12H6.

The characteristics of Benzene,1,3,5-triethynyl- are as followings: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.756; (4)ACD/LogD (pH 7.4): 3.756; (5)ACD/BCF (pH 5.5): 421.356; (6)ACD/BCF (pH 7.4): 421.356; (7)ACD/KOC (pH 5.5): 2632.253; (8)ACD/KOC (pH 7.4): 2632.253; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 47.936 cm3; (15)Molar Volume: 142.512 cm3; (16)Polarizability: 19.003×10-24cm3; (17)Surface Tension: 49.864 dyne/cm; (18)Density: 1.054 g/cm3; (19)Flash Point: 107.62 °C; (20)Enthalpy of Vaporization: 48.998 kJ/mol; (21)Boiling Point: 272.258 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C. 

Preparation of Benzene,1,3,5-triethynyl-: This chemical can be prepared by 4-[3,5-bis-(3-hydroxy-3-methyl-but-1-ynyl)-phenyl]-2-methyl-but-3-yn-2-ol. The reaction will need reagent NaOH and tetrabutylammonium iodide, and the menstruum H2O and cyclohexane. The reaction time is 4 days with temperature of 85°C, and the yield is about 36%.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C#Cc1cc(cc(c1)C#C)C#C
(2)InChI: InChI=1/C12H6/c1-4-10-7-11(5-2)9-12(6-3)8-10/h1-3,7-9H
(3)InChIKey: ZDRMMTYSQSIGRY-UHFFFAOYAS