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Basic Information
CAS No.: 17070-70-1
Name: 3-ISOCYANATOPROPYLDIMETHYLCHLOROSILANE
Molecular Structure:
Molecular Structure of 17070-70-1 (3-ISOCYANATOPROPYLDIMETHYLCHLOROSILANE)
Formula: C6H12ClNOSi
Molecular Weight: 177.706
Synonyms: Isocyanicacid, 3-(chlorodimethylsilyl)propyl ester (8CI);(3-Isocyanatopropyl)dimethylchlorosilane;3-(Dimethylchlorosilyl)propylisocyanate;
EINECS: 241-131-5
Density: 0.99 g/cm3
Melting Point: <0°C
Boiling Point: 196.7 °C at 760 mmHg
Flash Point: 72.7 °C
Risk Codes: 21/22-26-34-42
Safety: 23-26-36/37/39
PSA: 29.43000
LogP: 2.15620
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Specification

The Silane,chloro(3-isocyanatopropyl)dimethyl-, with CAS registry number 17070-70-1, has the systematic name of chloro(3-isocyanatopropyl)dimethylsilane. Besides this, it is also called 3-Isocyanatopropyldimethylchlorosilane. And the chemical formula of this chemical is C6H12ClNOSi. What's more, its EINECS is 241-131-5.

Physical properties of Silane,chloro(3-isocyanatopropyl)dimethyl-: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 194.13; (6)ACD/BCF (pH 7.4): 194.13; (7)ACD/KOC (pH 5.5): 1511.58; (8)ACD/KOC (pH 7.4): 1511.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.43 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 47.47 cm3; (15)Molar Volume: 177.7 cm3; (16)Polarizability: 18.81×10-24cm3; (17)Surface Tension: 25.4 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 72.7 °C; (20)Enthalpy of Vaporization: 43.29 kJ/mol; (21)Boiling Point: 196.7 °C at 760 mmHg; (22)Vapour Pressure: 0.394 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Silane,chloro(3-isocyanatopropyl)dimethyl- irritates to eyes, respiratory system and skin. This chemical is harmful in contact with skin and if swallowed. It may cause burns. It may also cause sensitization by inhalation, so do not breathe vapour. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Cl[Si](CCC\N=C=O)(C)C
(2)InChI: InChI=1/C6H12ClNOSi/c1-10(2,7)5-3-4-8-6-9/h3-5H2,1-2H3
(3)InChIKey: LQJWIXKJNVDYHH-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H12ClNOSi/c1-10(2,7)5-3-4-8-6-9/h3-5H2,1-2H3
(5)Std. InChIKey: LQJWIXKJNVDYHH-UHFFFAOYSA-N