CAS No.10297-05-9,1-CHLORO-4-IODOBUTANE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10297-05-9
Name:	1-CHLORO-4-IODOBUTANE
Article Data:	17

Formula:	C₄H₈ClI
Molecular Weight:	218.465
Synonyms:	1-Chloro-4-iodobutane;1-Iodo-4-chlorobutane;4-Chloro-1-iodobutane;4-Chlorobutyl iodide;4-Iodo-1-chlorobutane;4-Iodobutyl chloride;Tetramethylene chloroiodide;
EINECS:	233-669-4
Density:	1.75 g/cm³
Melting Point:	93 °C
Boiling Point:	193.6 °C at 760 mmHg
Flash Point:	70.9 °C
Solubility:	insoluble in water
Appearance:	clear yellow to brown liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	0.00000
LogP:	2.44040

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Specification

This chemical is called Butane, 1-chloro-4-iodo-, and its systematic name is 1-chloro-4-iodobutane. With the molecular formula of C₄H₈ClI, its molecular weight is 218.46. The CAS registry number of this chemical is 10297-05-9. Additionally, its product categories are Alkyl; Halogenated Hydrocarbons; Organic Building Blocks.

Other characteristics of the Butane, 1-chloro-4-iodo- can be summarised as followings: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.1; (6)ACD/BCF (pH 7.4): 89.1; (7)ACD/KOC (pH 5.5): 865.63; (8)ACD/KOC (pH 7.4): 865.63; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 38.39 cm³; (14)Molar Volume: 124.7 cm³; (15)Polarizability: 15.22×10^-24cm³; (16)Surface Tension: 35.1 dyne/cm; (17)Density: 1.75 g/cm³; (18)Flash Point: 70.9 °C; (19)Enthalpy of Vaporization: 41.22 kJ/mol; (20)Boiling Point: 193.6 °C at 760 mmHg; (21)Vapour Pressure: 0.643 mmHg at 25°C.

Production method of this chemical: The Butane, 1-chloro-4-iodo- could be obtained by the reactant of 1,4-dichloro-butane. This reaction needs the reagent of n-BuI, Bu₄NI. The yield is 75 %. In addition, this reaction should be taken for 6 hours at the temperature of 105-141°C.

Uses of this chemical: The Butane, 1-chloro-4-iodo- could react with but-3-en-2-one, and obtain the 8-chloro-octan-2-one. This reaction needs the reagent of Zn(Cu), and the solvent of propan-1-ol, H₂O. The yield is 49 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: ClCCCCI
2.InChI: InChI=1/C4H8ClI/c5-3-1-2-4-6/h1-4H2
3.InChIKey: JXOSPTBRSOYXGC-UHFFFAOYAI