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Cas Database |
| Name |
3-Chloropropyltrimethoxysilane |
EINECS | 219-787-9 |
| CAS No. | 2530-87-2 | Density | 1.025 g/cm3 |
| PSA | 27.69000 | LogP | 1.49340 |
| Solubility | Hydrolyzes in water. | Melting Point |
-50 °C |
| Formula | C6H15ClO3Si | Boiling Point | 195.5 °C at 760 mmHg |
| Molecular Weight | 198.722 | Flash Point | 47.5 °C |
| Transport Information | UN 1993 3/PG 3 | Appearance | Colorless transparent liquid |
| Safety | 26-36-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
(3-Chloropropyl)trimethoxysilane;(g-Chloropropyl)trimethoxysilane;3-(Trimethoxysilyl)propyl chloride;A 143;C 3300;CPS-M;KBM 703;LS 1260;NSC83878;SH 6076;Sila-Ace S 620;Silquest A 143;Silquest A 1430;TSL 8320;TSL8326;Trimethoxy(3-chloropropyl)silane;Unisilan 311;Z 6076;d-Chloropropyltrimethoxysilane; |
Article Data | 17 |
3-Chloropropyltrimethoxysilane Synthetic route
| Conditions | Yield |
|---|---|
| at 50 - 60℃; under 400 Torr; Large scale; | 99% |
| With urea In hexane for 4h; Reflux; | 76% |
- 2550-06-3
3-chloropropyltrichlorosilane
- 149-73-5
trimethyl orthoformate
- 2530-87-2
3-Chloropropyltrimethoxysilan
| Conditions | Yield |
|---|---|
| at 95 - 100℃; for 7h; Industrial scale; | 81% |
- 67-56-1
methanol
- 2550-06-3
3-chloropropyltrichlorosilane
A
- 18132-73-5
1,3-Bis-(3-chlorpropyl)-tetramethoxydisiloxan
B
- 2530-87-2
3-Chloropropyltrimethoxysilan
- 2487-90-3
trimethoxysilane
- 107-05-1
3-chloroprop-1-ene
B
- 253586-30-0
3-chloropropyltrichlorosilane
C
- 4668-00-2
chlorotrimethoxysilane
D
- 681-84-5
tetramethylorthosilicate
E
- 540-54-5
1-Chloropropane
F
- 1067-25-0
n-propyltrimethoxysilane
G
- 2530-87-2
3-Chloropropyltrimethoxysilan
| Conditions | Yield |
|---|---|
| With toluene; ruthenium trichloride In methanol at 20 - 83℃; for 2h; Product distribution / selectivity; | |
| [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 In dichloromethane at 20 - 83℃; for 2h; Product distribution / selectivity; | |
| ruthenium trichloride In methanol at 75 - 169℃; for 18h; Product distribution / selectivity; Continuous operation; |
- 2487-90-3
trimethoxysilane
- 107-05-1
3-chloroprop-1-ene
A
- 253586-30-0
3-chloropropyltrichlorosilane
B
- 4668-00-2
chlorotrimethoxysilane
C
- 681-84-5
tetramethylorthosilicate
D
- 540-54-5
1-Chloropropane
E
- 1067-25-0
n-propyltrimethoxysilane
F
- 2530-87-2
3-Chloropropyltrimethoxysilan
| Conditions | Yield |
|---|---|
| With toluene; ruthenium trichloride In methanol at 20 - 83℃; for 2h; Product distribution / selectivity; | |
| Stage #1: trimethoxysilane; ruthenium trichloride In methanol; toluene at 20 - 80℃; Heating / reflux; Stage #2: 3-chloroprop-1-ene at 78 - 83℃; for 2h; |
| Conditions | Yield |
|---|---|
| With trichlorosilane; platinum In methanol |
| Conditions | Yield |
|---|---|
| In 5,5-dimethyl-1,3-cyclohexadiene | |
| (1,5-cyclooctadiene)(methoxy)iridium(I) dimer at -78 - 80℃; pressure tight tube; | 42.7 %Chromat. |
| With rhodium(III) chloride hydrate; Diphenylmethane; tert-butyl peroxy-3,5,5-trimethylhexanoate In methanol at 75℃; Concentration; Reagent/catalyst; Time; Wavelength; Temperature; Inert atmosphere; | 94.66 %Chromat. |
- 1634-04-4
tert-butyl methyl ether
- 2550-06-3
3-chloropropyltrichlorosilane
- 2530-87-2
3-Chloropropyltrimethoxysilan
| Conditions | Yield |
|---|---|
| With bismuth(III) chloride at 0 - 20℃; Neat (no solvent); Inert atmosphere; | 92 %Spectr. |
- 2487-90-3
trimethoxysilane
- 107-05-1
3-chloroprop-1-ene
A
- 681-84-5
tetramethylorthosilicate
B
- 2530-87-2
3-Chloropropyltrimethoxysilan
| Conditions | Yield |
|---|---|
| With di-tert-butyl peroxide In methanol Concentration; Reagent/catalyst; Temperature; | A 10.73 %Chromat. B 75.29 %Chromat. |
- 1634-04-4
tert-butyl methyl ether
- 2550-06-3
3-chloropropyltrichlorosilane
A
- 253586-30-0
3-chloropropyltrichlorosilane
B
- 2530-87-2
3-Chloropropyltrimethoxysilan
| Conditions | Yield |
|---|---|
| With bismuth(III) chloride In acetonitrile at 20℃; for 6h; Schlenk technique; Inert atmosphere; |
3-Chloropropyltrimethoxysilane Specification
The 3-(Trimethoxysilyl)propyl chloride is an organic compound with the formula C6H15ClO3Si. The IUPAC name of this chemical is 3-chloropropyl(trimethoxy)silane. With the CAS registry number 2530-87-2, it is also named as Silane, (3-chloropropyl)trimethoxy-. The product's categories are Industrial/Fine Chemicals; Chloro; Organics; Chloroal kylsilanes, etc. (Silane Coupling Agents); Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Si-O Compounds; Trialkoxysilanes; Alkoxy Silanes; Alpha Silanes; Silane series; Organometallic Reagents; Organosilicon. Besides, it is colorless transparent liquid, which should be stored in a closed cool and dry place.
Physical properties about 3-(Trimethoxysilyl)propyl chloride are: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): 1.12; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 4.21; (5)ACD/BCF (pH 7.4): 4.21; (6)ACD/KOC (pH 5.5): 97.3; (7)ACD/KOC (pH 7.4): 97.3; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 27.69 Å2; (11)Index of Refraction: 1.416; (12)Molar Refractivity: 48.64 cm3; (13)Molar Volume: 193.7 cm3; (14)Polarizability: 19.28×10-24cm3; (15)Surface Tension: 23.6 dyne/cm; (16)Density: 1.025 g/cm3; (17)Flash Point: 47.5 °C; (18)Enthalpy of Vaporization: 41.41 kJ/mol; (19)Boiling Point: 195.5 °C at 760 mmHg; (20)Vapour Pressure: 0.585 mmHg at 25°C.
Uses of 3-(Trimethoxysilyl)propyl chloride: it can be used to produce 3-iodopropyltrimethoxysilane. It will need reagent NaI.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable 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: ClCCC[Si](OC)(OC)OC
(2)InChI: InChI=1/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
(3)InChIKey: OXYZDRAJMHGSMW-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
(5)Std. InChIKey: OXYZDRAJMHGSMW-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | 2830uL/kg (2.83mL/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0555731, |
| rat | LD50 | oral | 6170uL/kg (6.17mL/kg) | Journal of Toxicology, Cutaneous and Ocular Toxicology. Vol. 15, Pg. 261, 1996. |
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