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1,4-Dichlorobutane CAS No.:110-56-5

1,4-Dichlorobutane CAS No.:110-56-5

1,4-dichlorobutane Specification The IUPAC name of this product is 1,4-dichlorobutane. With the CAS registry number 110-56-5, it is also named as Butane, 1,4-dichloro-. The product's categories are industrial / fine chemicals; alpha,omega-bifunctional alkanes; alpha,omega-dichloroalkanes;...

Name

1,4-dichlorobutane

EINECS

203-778-1

CAS No.

110-56-5

Density

1.16 g/cm3

Solubility

0.24 g/100 mL (20 °C) in water

Melting Point

-38 °C

Formula

C4H8Cl2

Boiling Point

153.9 °C at 760 mmHg

Molecular Weight

127.01

Flash Point

40.8 °C

Transport Information

UN 1993 3/PG 3

Appearance

Colorless mobile liquid

Safety

26-36-45-36/37

Risk Codes

10-36/37/38-39/23/24/25-23/24/25

Molecular Structure

1.jpg

Hazard Symbols

3(001).jpgXi, 6.jpgT

Synonyms

Tetramethylene dichloride;NSC 6288;




1,4-dichlorobutane Specification

The IUPAC name of this product is 1,4-dichlorobutane. With the CAS registry number 110-56-5, it is also named as Butane, 1,4-dichloro-. The product's categories are industrial / fine chemicals; alpha,omega-bifunctional alkanes; alpha,omega-dichloroalkanes; monofunctional & alpha,omega-bifunctional alkanes; method 8021; 500 series drinking water methods; 600 series wastewater methods; 8000 series solidwaste methods; alpha sort; method 502EPA; method 601EPA; volatiles / semivolatiles; method 601. It is colorless mobile liquid with a mild pleasant odor. In addition, it is stable, flammable and incompatible with strong bases, strong oxidizing agents. This chemical can react vigorously with oxidizing materials.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.65; (6)ACD/BCF (pH 7.4): 29.65; (7)ACD/KOC (pH 5.5): 393.85; (8)ACD/KOC (pH 7.4): 393.85; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.429; (13)Molar Refractivity: 30.27 cm3; (14)Molar Volume: 117.3 cm3; (15)Polarizability: 12×10-24 cm3; (16)Surface Tension: 27.2 dyne/cm; (17)Enthalpy of Vaporization: 37.46 kJ/mol; (18)Vapour Pressure: 4.18 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 126.000306; (21)MonoIsotopic Mass: 126.000306; (22)Heavy Atom Count: 6.

Preparation of 1,4-dichlorobutane: It can be obtained by butane-1,4-diol in solvent chlorotriphenylphosphonium dichlorophosphate at 20 °C. This reaction type is Arbuzov reaction and the yield is 65%.


Uses of 1,4-dichlorobutane: It is used as raw material and solvent for organic synthesis. And it is used for the synthesis of adiponitrile and drug carbetapentane. In addition, it can react with aniline to get 1-phenyl-pyrrolidine. This reaction needs reagent KF at temperature of 120 °C. The reaction time is 12 hours. The yield is 88%.


When you are using this chemical, please be cautious about it as the following:

It is flammable. And it is toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.

1. Smiles: C(CCCl)CCl;

2. InChI: InChI=1/C4H8Cl2/c5-3-1-2-4-6/h1-4H2.


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