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1-Chlorodecane CAS No.:1002-69-3

1-Chlorodecane CAS No.:1002-69-3

1-Chlorodecane Specification The IUPAC name of 1-Chlorodecane is 1-chlorodecane. With the CAS registry number 1002-69-3, it is also named as Decyl chloride. The product's categories are alkyl chlorides, monofunctional & alpha, omega-bifunctional alkanes and monofunctional alkanes. It is...

Name

1-Chlorodecane

EINECS

213-691-0

CAS No.

1002-69-3

Density

0.862 g/cm3

Solubility

0.01 g/L (20 °C)

Melting Point

-34 °C

Formula

C10H21Cl

Boiling Point

223.7 °C at 760 mmHg

Molecular Weight

176.73

Flash Point

83.3 °C

Transport Information

UN 3082

Appearance

clear almost colorless liquid

Safety

24-36/37-60-61-37

Risk Codes

40-50/53-38

Molecular Structure

1.jpg

Hazard Symbols

5(001).jpgXn,

 

3(001).jpgXi,


4(001).jpgN

Synonyms

1-Chlorodecane;Decyl chloride;NSC 6088;n-Decyl chloride;




1-Chlorodecane Specification

The IUPAC name of 1-Chlorodecane is 1-chlorodecane. With the CAS registry number 1002-69-3, it is also named as Decyl chloride. The product's categories are alkyl chlorides, monofunctional & alpha, omega-bifunctional alkanes and monofunctional alkanes. It is clear almost colorless liquid, which should be stored in cool, dry and closed place at temperature of -20 °C. In addition, its molecular formula is C10H21Cl and molecular weight is 176.73.

The other characteristics of this product can be summarized as: (1)EINECS: 213-691-0; (2)ACD/LogP: 5.75; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.75; (5)ACD/LogD (pH 7.4): 5.75; (6)ACD/BCF (pH 5.5): 13835.96; (7)ACD/BCF (pH 7.4): 13835.96; (8)ACD/KOC (pH 5.5): 32042.21; (9)ACD/KOC (pH 7.4): 32042.21; (10)H bond acceptors: 0; (11)H bond donors: 0; (12)Freely Rotating Bonds: 8; (13)Polar Surface Area: 0 Å2; (14)Index of Refraction: 1.432; (15)Molar Refractivity: 53.22 cm3; (16)Molar Volume: 204.9 cm3; (17)Polarizability: 21.1×10-24cm3; (18)Surface Tension: 27.2 dyne/cm; (19)Density: 0.862 g/cm3; (20)Flash Point: 83.3 °C; (21)Melting point: -34 °C; (22)Enthalpy of Vaporization: 44.15 kJ/mol; (23)Boiling Point: 223.7 °C at 760 mmHg; (24)Water solubility: 0.01 g/L (20 °C); (25)Vapour Pressure: 0.141 mmHg at 25 °C.

Preparation of 1-Chlorodecane: this chemical can be prepared by Decan-1-ol.


This reaction needs zinc chloride and hydrogen chloride at temperature of 140 °C.

Uses of 1-Chlorodecane: it is used as a chemical intermediate. Moreover, it can reacts with Ethane-1,2-diamine to get N-decyl-ethylenediamine.

2.jpg

This reaction will occur at temperature of 110 - 120 °C for 1 hour. The yield is 93.5 %.

When you are using this chemical, please be cautious about it as the following: it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Besides, it is irritating to skin and limited evidence of a carcinogenic effect. When you use it, please wear suitable protective clothing and gloves, please avoid contact with skin and avoid release to the environment. refer to special instructions / safety data sheets. Moreover, this material and its container must be disposed of as hazardous waste.

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

SMILES:ClCCCCCCCCCC

InChI:InChI=1/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3 

InChIKey:ZTEHOZMYMCEYRM-UHFFFAOYAM 

Std. InChI:InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3 

Std. InChIKey:ZTEHOZMYMCEYRM-UHFFFAOYSA-N


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