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3-Chloropropyltrimethoxysilane

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Name

3-Chloropropyltrimethoxysilane

EINECS 219-787-9
CAS No. 2530-87-2 Density 1.025 g/cm3
Solubility Melting Point -50 °C
Formula C6H15ClO3Si Boiling Point 195.5 °C at 760 mmHg
Molecular Weight 198.75 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 Molecular Structure of 2530-87-2 (Silane,(3-chloropropyl)trimethoxy-) Hazard Symbols IrritantXi
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;

 

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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