Name: Trans-4-Chloro-2-Buten-1-ol
SKU: 1775-39-9

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Basic Information

Molecular Structure:
CAS No.:	1775-39-9
Name:	Trans-4-Chloro-2-Buten-1-ol

Formula:	C₄H₇ClO
Molecular Weight:	106.552
Synonyms:	trans-4-Chloro-2-buten-1-ol;(E)-1-Chloro-4-hydroxy-2-butene;(E)-4-Chloro-2-buten-1-ol;2-Buten-1-ol,4-chloro-, (E)- (8CI);(E)-1-Chloro-2-buten-4-ol;
Density:	1.098 g/cm³
Boiling Point:	182.78 °C at 760 mmHg
Flash Point:	83.22 °C
PSA:	20.23000
LogP:	0.77370

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Specification

The 2-Buten-1-ol,4-chloro-, (2E)-, with CAS registry number 1775-39-9, has the systematic name of (2E)-4-chlorobut-2-en-1-ol. Besides this, it is also called Trans-4-Chloro-2-Buten-1-ol. Its molecular weight is 106.5508. And the chemical formula of this chemical is C₄H₇ClO.

Physical properties of 2-Buten-1-ol,4-chloro-, (2E)-: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 64; (8)ACD/KOC (pH 7.4): 64; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 27.022 cm³; (15)Molar Volume: 97.068 cm³; (16)Polarizability: 10.712×10^-24cm³; (17)Surface Tension: 33.586 dyne/cm; (18)Density: 1.098 g/cm³; (19)Flash Point: 83.22 °C; (20)Enthalpy of Vaporization: 48.775 kJ/mol; (21)Boiling Point: 182.78 °C at 760 mmHg; (22)Vapour Pressure: 0.23 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC/C=C/CO
(2)InChI: InChI=1/C4H7ClO/c5-3-1-2-4-6/h1-2,6H,3-4H2/b2-1+
(3)InChIKey: WVRLAHTVGOLBEB-OWOJBTEDBV
(4)Std. InChI: InChI=1S/C4H7ClO/c5-3-1-2-4-6/h1-2,6H,3-4H2/b2-1+
(5)Std. InChIKey: WVRLAHTVGOLBEB-OWOJBTEDSA-N