3-Chlorophenylacetylene supplier

Name
3-Chlorophenylacetylene
EINECS 628-258-5
CAS No. 766-83-6
Article Data17
CAS DataBase
Density 1.109 g/cm³
Solubility
Melting Point
Formula C₈H₅Cl
Boiling Point 191.3 °C at 760 mmHg
Molecular Weight 136.581
Flash Point 65 °C
Transport Information
Appearance colorless liquid
Safety 36
Risk Codes 38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Chloro-3-ethynylbenzene;1-Ethynyl-3-chlorobenzene;3-Chloro-1-ethynylbenzene;m-Chlorophenylacetylene;
PSA
LogP

3-Chlorophenylacetylene Specification

The Benzene,1-chloro-3-ethynyl-, with CAS registry number 766-83-6, belongs to the following product categories: (1)Miscellaneous; (2)Alkynyl; (3)Halogenated Hydrocarbons; (4)Organic Building Blocks. It has the systematic name of 1-chloro-3-ethynylbenzene. This chemical irritates to skin. When use it, wear suitable protective clothing.

Physical properties of Benzene,1-chloro-3-ethynyl-: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 111.24; (6)ACD/BCF (pH 7.4): 111.24; (7)ACD/KOC (pH 5.5): 1014.65; (8)ACD/KOC (pH 7.4): 1014.65; (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: 1.564; (14)Molar Refractivity: 38.64 cm³; (15)Molar Volume: 118.7 cm³; (16)Polarizability: 15.31×10^-24cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Enthalpy of Vaporization: 41 kJ/mol; (19)Vapour Pressure: 0.719 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C#C)ccc1
(2)InChI: InChI=1/C8H5Cl/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
(3)InChIKey: GRBJPHPMYOUMJV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H5Cl/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
(5)Std. InChIKey: GRBJPHPMYOUMJV-UHFFFAOYSA-N

Product Name

3-Chlorophenylacetylene

3-Chlorophenylacetylene Specification

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