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C12H6 1 3 5 Triethynylbenzene Cas 7567-63-7 Light Yellow Powder Density 1.054 G/Cm3

C12H6 1 3 5 Triethynylbenzene Cas 7567-63-7 Light Yellow Powder Density 1.054 G/Cm3

  • C12H6 1 3 5 Triethynylbenzene Cas 7567-63-7 Light Yellow Powder Density 1.054 G/Cm3
C12H6 1 3 5 Triethynylbenzene Cas 7567-63-7 Light Yellow Powder Density 1.054 G/Cm3
Product Details:
Place of Origin: China
Brand Name: RUN
Certification: ISO9001
Model Number: RUN-AH
Payment & Shipping Terms:
Minimum Order Quantity: 10g
Price: inquiry
Packaging Details: 10g 50g 100g 500g 1kg
Delivery Time: 3-7 days
Payment Terms: T/T, , MoneyGram, BTCcoin
Supply Ability: 1kg --100kg
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Detailed Product Description
CAS: 7567-63-7 Product Name: 1,3,5-TRIETHYNYLBENZENE
MF: C12H6 MW: 150.18
Appearance: Light Yellow Powder Purity: 98%
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C12H6 1 3 5 Triethynylbenzene Cas 7567-63-7 Light Yellow Powder

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

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