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Sebacoyl chloride

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Sebacoyl chloride

EINECS 203-843-4
CAS No. 111-19-3 Density 1.135 g/cm3
Solubility Reacts violently with water. Incompatible with water, amines, alcohols. Melting Point -2.5 ºC
Formula C10H16Cl2O2 Boiling Point 306.1 °C at 760 mmHg
Molecular Weight 239.14 Flash Point 151.4 °C
Transport Information UN 3129 Appearance colourless to light yellow liquid with a pungent odour
Safety 26-36/37/39-45 Risk Codes 22-24-34
Molecular Structure Molecular Structure of 111-19-3 (Sebacoyl chloride) Hazard Symbols ToxicT

Sebacoylchloride (6CI,8CI);Decanedioic acid dichloride;Decanedioic dichloride;Decanedioyl chloride;NSC 56763;Sebacic acid chloride;Sebacic aciddichloride;Sebacic dichloride;Sebacoyl dichloride;Sebacyl chloride;Decanedioyl dichloride;


Sebacoyl chloride Specification

The Sebacoyl chloride, with the CAS registry number 111-19-3, is also known as Sebacic acid chloride. It belongs to the product category of Acid chlorides. Its EINECS number is 203-843-4. This chemical's molecular formula is C10H16Cl2O2 and molecular weight is 239.14. What's more, its IUPAC name is decanedioyl dichloride. It should be sealed and stored in a cool and dry place. What's more, it should be protected from oxides, water and fire.

Physical properties of Sebacoyl chloride are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/BCF (pH 5.5): 205.97; (5)ACD/KOC (pH 5.5): 1576.96; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 9; (9)Polar Surface Area: 34.14 Å2; (10)Index of Refraction: 1.464; (11)Molar Refractivity: 58.13 cm3; (12)Molar Volume: 210.6 cm3; (13)Surface Tension: 36.3 dyne/cm; (14)Density: 1.135 g/cm3; (15)Flash Point: 151.4 °C; (16)Enthalpy of Vaporization: 54.66 kJ/mol; (17)Boiling Point: 306.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000787 mmHg at 25°C.

Uses of Sebacoyl chloride: it can be used to produce decanedioic acid bis-(3-dimethylamino-propyl) ester by heating. It will need reagent triethylamine and solvent diethyl ether with the reaction time of 3 hours. The yield is about 56%.


When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It is toxic in contact with skin. It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(CCCCC(=O)Cl)CCCC(=O)Cl
(2)InChI: InChI=1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2

The toxicity data is as follows:

Organism Test Type Route

Reported Dose

(Normalized Dose)

Effect Source
guinea pig LD50 skin 50uL/kg (0.05mL/kg)   National Technical Information Service. Vol. OTS0544140.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. OTS0544140.
mouse LD50 oral > 1600mg/kg (1600mg/kg)   National Technical Information Service. Vol. OTS0544140.
rat LD50 intraperitoneal 50mg/kg (50mg/kg) BEHAVIORAL: TREMOR


National Technical Information Service. Vol. OTS0544140.
rat LD50 oral 400mg/kg (400mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

National Technical Information Service. Vol. OTS0544140.

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