4-Chloro-1-butyne supplier | CasNO.51908-64-6

Name
4-Chloro-1-butyne
EINECS
CAS No. 51908-64-6
Article Data11
CAS DataBase
Density 0.986 g/cm³
Solubility 3730 mg/L at 25 °C
Melting Point
Formula C₄H₅Cl
Boiling Point 96.5 °C at 760 mmHg
Molecular Weight 88.5367
Flash Point 8.2 °C
Transport Information
Appearance
Safety 45-36/37/39-26
Risk Codes 25-43-41-22
Molecular Structure
Hazard Symbols T,Xn
Synonyms 4-Chloro-1-butyne
PSA 0.00000
LogP 1.24850

4-Chloro-1-butyne Specification

The IUPAC name of 4-Chloro-1-butyne is 4-Chlorobut-1-yne. With the CAS registry number 51908-64-6, it is also named as 1-Butyne, 4-chloro-. In addition, its molecular formula is C₄H₅Cl and its molecular weight is 88.54.

The other characteristics of 4-Chloro-1-butyne can be summarized as: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.13; (6)ACD/BCF (pH 7.4): 7.13; (7)ACD/KOC (pH 5.5): 141.96; (8)ACD/KOC (pH 7.4): 141.96; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.431; (13)Molar Refractivity: 23.25 cm³; (14)Molar Volume: 89.7 cm³; (15)Polarizability: 9.21×10^-24cm³; (16)Surface Tension: 29.3 dyne/cm; (17)Density: 0.986 g/cm³; (18)Flash Point: 8.2 °C; (19)Enthalpy of Vaporization: 32.22 kJ/mol; (20)Boiling Point: 96.5 °C at 760 mmHg; (21)Vapour Pressure: 49.6 mmHg at 25 °C; (22)Water Solubility: 3730 mg/L at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:ClCCC#C
(2)InChI:InChI=1/C4H5Cl/c1-2-3-4-5/h1H,3-4H2
(3)InChIKey:SCALDUUTBUBDKM-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C4H5Cl/c1-2-3-4-5/h1H,3-4H2
(5)Std. InChIKey:SCALDUUTBUBDKM-UHFFFAOYSA-N

Product Name

4-Chloro-1-butyne

4-Chloro-1-butyne Specification

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