Products Categories
CAS No.: | 111-19-3 |
---|---|
Name: | Sebacoyl chloride |
Article Data: | 56 |
Molecular Structure: | |
Formula: | C10H16Cl2O2 |
Molecular Weight: | 239.142 |
Synonyms: | 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; |
EINECS: | 203-843-4 |
Density: | 1.135 g/cm3 |
Melting Point: | -2.5 ºC |
Boiling Point: | 306.1 °C at 760 mmHg |
Flash Point: | 151.4 °C |
Solubility: | Reacts violently with water. Incompatible with water, amines, alcohols. |
Appearance: | colourless to light yellow liquid with a pungent odour |
Hazard Symbols: | T |
Risk Codes: | 22-24-34 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 3129 |
PSA: | 34.14000 |
LogP: | 3.63800 |
Conditions | Yield |
---|---|
With thionyl chloride; N,N-dimethyl-formamide for 1.5h; Reflux; | 100% |
With oxalyl dichloride In dichloromethane at 20℃; for 24h; Inert atmosphere; | 92% |
With phosgene at 160℃; Green chemistry; | 67.65% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 5h; | 100% |
With pyridine; N,N-dimethyl-formamide | 67% |
With pyridine Ambient temperature; |
Conditions | Yield |
---|---|
at 130 - 135℃; for 6h; | 100% |
sebacoyl chloride
4-(1,3-dioxolan-2-yl)-N1-hydroxybenzenecarboximidamide
bis{(4-[1,3]-dioxolan-2-yl)-O-carboxybenzamidoximo}-1,8-octane
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 20℃; for 16h; | 100% |
sebacoyl chloride
glycine ethyl ester hydrochloride
[9-(Ethoxycarbonylmethyl-carbamoyl)-nonanoylamino]-acetic acid ethyl ester
Conditions | Yield |
---|---|
With triethylamine In chloroform at 0 - 20℃; for 13h; | 99% |
Conditions | Yield |
---|---|
With pyridine In chloroform at -78 - 0℃; | 99% |
sebacoyl chloride
1-phenoxyhexane
1,10-Bis-(4-hexyloxy-phenyl)-decane-1,10-dione
Conditions | Yield |
---|---|
With aluminium trichloride In Petroleum ether for 3h; | 98.5% |
Conditions | Yield |
---|---|
With triethylamine In toluene | 98% |
With triethylamine In toluene for 0.666667h; | 98% |
sebacoyl chloride
2,5-dimethyl-2,5-dihydroperoxyhexane
terephthaloyl chloride
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 20℃; for 1.5h; | 98% |
sebacoyl chloride
12-(p-aminophenyl)-9,9-dimethyl-8,9,10,11-tetrahydrobenzacridin-11-one
Conditions | Yield |
---|---|
In acetone at 5℃; for 0.25h; | 98% |
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
(3)InChIKey: WMPOZLHMGVKUEJ-UHFFFAOYSA-N
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 KIDNEY, URETER, AND BLADDER: HEMATURIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0544140. |
rat | LD50 | oral | 400mg/kg (400mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0544140. |