CAS No.1002-69-3,1-Chlorodecane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1002-69-3
Name:	1-Chlorodecane
Article Data:	60

Formula:	C₁₀H₂₁Cl
Molecular Weight:	176.73
Synonyms:	1-Chlorodecane;Decyl chloride;NSC 6088;n-Decyl chloride;
EINECS:	213-691-0
Density:	0.862 g/cm³
Melting Point:	-34 °C
Boiling Point:	223.7 °C at 760 mmHg
Flash Point:	83.3 °C
Solubility:	0.01 g/L (20 °C)
Appearance:	clear almost colorless liquid
Hazard Symbols:	Xn, Xi,N
Risk Codes:	40-50/53-38
Safety:	24-36/37-60-61-37
Transport Information:	UN 3082
PSA:	0.00000
LogP:	4.36590

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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.

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