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CAS No.: | 123-98-8 |
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Name: | AZELAOYL CHLORIDE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C9H14Cl2O2 |
Molecular Weight: | 225.115 |
Synonyms: | Azelaoylchloride (6CI,7CI,8CI);Azelaic acid chloride;Azelaic acid dichloride;Azelaoyl acid dichloride;Azelaoyl dichloride;Nonanedioicdichloride;Nonanedioyl chloride; |
EINECS: | 204-668-6 |
Density: | 1.159 g/cm3 |
Boiling Point: | 291.5 °C at 760 mmHg |
Flash Point: | 138.9 °C |
Appearance: | clear yellow-brown liquid |
Hazard Symbols: | C |
Risk Codes: | 34-37 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3265 |
PSA: | 34.14000 |
LogP: | 3.24790 |
The Nonanedioyl dichloride, with the CAS registry number of 123-98-8, is also known as Azelaic acid chloride. It belongs to the product category of Acid Chlorides. Its EINECS registry number is 204-668-6. This chemical's molecular formula is C9H14Cl2O2 and molecular weight is 225.11. What's more, its systematic name is called Nonanedioyl dichloride.
Physical properties about Nonanedioyl dichloride are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.28; (6)ACD/BCF (pH 7.4): 81.28; (7)ACD/KOC (pH 5.5): 810.53; (8)ACD/KOC (pH 7.4): 810.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 53.5 cm3; (15)Molar Volume: 194.1 cm3; (16)Surface Tension: 36.5 dyne/cm; (17)Density: 1.159 g/cm3; (18)Flash Point: 138.9 °C; (19)Enthalpy of Vaporization: 53.09 kJ/mol; (20)Boiling Point: 291.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00195 mmHg at 25 °C.
Preparation: this chemical is prepared by Nonanedioic acid. The reaction needs reagent SOCl2. The reaction time is 24 hours with reaction temperature of 80 °C. The yield is about 96 %.
Uses of Nonanedioyl dichloride: it is used to produce other chemicals. For example, it is used to produce N, N'-Diphenyl-nonanediamide. The reaction needs solvent Pyridine. The reaction time is 24 hours with reaction temperature of 20 °C. The yield is about 63 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to respiratory system. In addition, this chemical may cause burns on contact. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)CCCCCCCC(Cl)=O
(2) InChI: InChI=1/C9H14Cl2O2/c10-8(12)6-4-2-1-3-5-7-9(11)13/h1-7H2
(3) InChIKey: HGEVGSTXQGZPCL-UHFFFAOYAC