CAS No.111-19-3,Sebacoyl chloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	111-19-3
Name:	Sebacoyl chloride
Article Data:	56

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

Synthetic route

: 111-20-6
1,10-decanedioic acid

: 111-19-3
sebacoyl chloride

Conditions

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%

: 111-19-3
sebacoyl chloride

: 123-08-0
4-hydroxy-benzaldehyde

: 118702-75-3
bis(4-formylphenyl)decanedioate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 5h;	100%
With pyridine; N,N-dimethyl-formamide	67%
With pyridine Ambient temperature;

: 111-19-3
sebacoyl chloride

: 868-85-9
Dimethyl phosphite

: 121-45-9
phosphorous acid trimethyl ester

: [10-(Dimethoxy-phosphoryl)-1,10-bis-(dimethoxy-phosphoryloxy)-decyl]-phosphonic acid dimethyl ester

Conditions

Conditions	Yield
at 130 - 135℃; for 6h;	100%

...Expand

: 111-19-3
sebacoyl chloride

: 852691-00-0
4-(1,3-dioxolan-2-yl)-N1-hydroxybenzenecarboximidamide

: 1003867-90-0
bis{(4-[1,3]-dioxolan-2-yl)-O-carboxybenzamidoximo}-1,8-octane

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; for 16h;	100%

: 111-19-3
sebacoyl chloride

: 623-33-6
glycine ethyl ester hydrochloride

: 105172-45-0
[9-(Ethoxycarbonylmethyl-carbamoyl)-nonanoylamino]-acetic acid ethyl ester

Conditions

Conditions	Yield
With triethylamine In chloroform at 0 - 20℃; for 13h;	99%

: 111-19-3
sebacoyl chloride

: 1121-31-9
2-mercaptopyridine N-oxide

: C20H24N2O4S2

Conditions

Conditions	Yield
With pyridine In chloroform at -78 - 0℃;	99%

: 111-19-3
sebacoyl chloride

: 1132-66-7
1-phenoxyhexane

: 104192-36-1
1,10-Bis-(4-hexyloxy-phenyl)-decane-1,10-dione

Conditions

Conditions	Yield
With aluminium trichloride In Petroleum ether for 3h;	98.5%

: 111-19-3
sebacoyl chloride

: 108-98-5
thiophenol

: 47510-31-6
S-phenyl decenedithioate

Conditions

Conditions	Yield
With triethylamine In toluene	98%
With triethylamine In toluene for 0.666667h;	98%

: 111-19-3
sebacoyl chloride

: 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane

: 100-20-9
terephthaloyl chloride

: 4-(4-{4-[4-(9-{4-[9-(4-Hydroperoxy-1,1,4-trimethyl-pentylperoxycarbonyl)-nonanoylperoxy]-1,1,4-trimethyl-pentylperoxycarbonyl}-nonanoylperoxy)-1,1,4-trimethyl-pentylperoxycarbonyl]-benzoylperoxy}-1,1,4-trimethyl-pentylperoxycarbonyl)-benzoic acid

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; for 1.5h;	98%

...Expand

: 111-19-3
sebacoyl chloride

: 159146-73-3
12-(p-aminophenyl)-9,9-dimethyl-8,9,10,11-tetrahydrobenzacridin-11-one

: decanedioic acid bis-{[4-(9,9-dimethyl-11-oxo-8,9,10,11-tetrahydro-benzo[a]acridin-12-yl)-phenyl]-amide}

Conditions

Conditions	Yield
In acetone at 5℃; for 0.25h;	98%

Raw Materials

111-20-6

Downstream Products

373-44-4

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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
(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.