CAS No.556112-20-0,3,4-Dichlorophenylacetylene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	556112-20-0
Name:	3,4-Dichlorophenylacetylene
Article Data:	7

Formula:	C₈H₄Cl₂
Molecular Weight:	171.026
Synonyms:	1,2-Dichloro-4-ethynyl-benzene;
Density:	1.31 g/cm³
Melting Point:	40-42 °C
Boiling Point:	225.1 °C at 760 mmHg
Flash Point:	93.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37
PSA:	0.00000
LogP:	2.97470

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Specification

The 3,4-Dichlorophenylacetylene, with the CAS registry number 556112-20-0, is also known as Benzene, 1,2-dichloro-4-ethynyl-. This chemical's molecular formula is C₈H₄Cl₂ and molecular weight is 171.02. What's more, its systematic name is called 1,2-Dichloro-4-ethynyl-benzene.

Physical properties about 3,4-Dichlorophenylacetylene are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: Å²; (9)Index of Refraction: 1.583; (10)Molar Refractivity: 43.46 cm³; (11)Molar Volume: 129.9 cm³; (12)Surface Tension: 45.4 dyne/cm; (13)Density: 1.31 g/cm³; (14)Flash Point: 93.2 °C; (15)Enthalpy of Vaporization: 44.29 kJ/mol; (16)Boiling Point: 225.1 °C at 760 mmHg; (17)Vapour Pressure: 0.131 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing and gloves. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: C#Cc1ccc(c(c1)Cl)Cl
(2) InChI: InChI=1/C8H4Cl2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H
(3) InChIKey: MJHFEHXRVNTQIL-UHFFFAOYAD