CAS No.2419-74-1,1,4-DICHLORO-2-BUTANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2419-74-1
Name:	1,4-DICHLORO-2-BUTANOL
Article Data:	6

Formula:	C₄H₈Cl₂O
Molecular Weight:	143.013
Synonyms:	1,4-Dichloro-2-butanol;
EINECS:	219-339-2
Density:	1.241 g/cm³
Boiling Point:	227.7 °C at 760 mmHg
Flash Point:	103.7 °C
PSA:	20.23000
LogP:	1.21500

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Specification

The 2-Butanol,1,4-dichloro-, with the CAS registry number 2419-74-1, is also known as 1,4-Dichloro-2-butanol. Its EINECS registry number is 219-339-2. This chemical's molecular formula is C₄H₈Cl₂O and molecular weight is 143.01. Its IUPAC name is called 1,4-dichlorobutan-2-ol.

Physical properties of 2-Butanol,1,4-dichloro-: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.11; (6)ACD/BCF (pH 7.4): 3.11; (7)ACD/KOC (pH 5.5): 78.32; (8)ACD/KOC (pH 7.4): 78.32; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.463; (13)Molar Refractivity: 31.77 cm³; (14)Molar Volume: 115.2 cm³; (15)Surface Tension: 36 dyne/cm; (16)Density: 1.241 g/cm³; (17)Flash Point: 103.7 °C; (18)Enthalpy of Vaporization: 53.98 kJ/mol; (19)Boiling Point: 227.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0149 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,4-dichloro-butan-2-one. This reaction will need reagent diethyl ether and lithium alanate.

Uses of 2-Butanol,1,4-dichloro-: it can be used to produce (4-chloro-2-hydroxy-butyl)-dodecyl-dimethyl-ammonium; chloride by heating. This reaction will need solvent ethanol with reaction time of 24 hours. The yield is about 42%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CCl)C(CCl)O
(2)InChI: InChI=1S/C4H8Cl2O/c5-2-1-4(7)3-6/h4,7H,1-3H2
(3)InChIKey: CKNNDWZSFAPUJS-UHFFFAOYSA-N