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Silane,isocyanatotrimethyl-

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Name

Silane,isocyanatotrimethyl-

EINECS 214-256-8
CAS No. 1118-02-1 Density 0.85 g/cm3
PSA 29.43000 LogP 1.15710
Solubility N/A Melting Point -49 °C
Formula C4H9NOSi Boiling Point 91 °C at 760 mmHg
Molecular Weight 115.207 Flash Point 5.7 °C
Transport Information UN 2478 Appearance clear colorless liquid
Safety 23-26-36/37/39-45 Risk Codes 11-23-36/37-42
Molecular Structure Molecular Structure of 1118-02-1 (TRIMETHYLSILYL ISOCYANATE) Hazard Symbols FlammableF, ToxicT
Synonyms

Isocyanatotrimethylsilane;Isocyanic acid, trimethylsilyl ester;Trimethylisocyanatosilane;Trimethylsilyl isocyanate;

Article Data 69

Silane,isocyanatotrimethyl- Specification

The Silane, isocyanatotrimethyl-, with the CAS registry number 1118-02-1, is also known as Trimethylsilylisocyanate. It belongs to the product categories of Si (Classes of Silicon Compounds); Silicon Compounds (for Synthesis); Si-N Compounds; Synthetic Organic Chemistry; Trimethylsilylazide.. Its EINECS registry number is 214-256-8. This chemical's molecular formula is C4H9NOSi and molecular weight is 115.21. What's more, its IUPAC name is Isocyanato(trimethyl)silane. In addition, it must be stored in airtight containers and placed in a dry, cool place at 2-8 °C. Meanwhile, it should avoid contact with oxidant, acid, alkali, moisture, alcohol, amine.

Physical properties about Silane, isocyanatotrimethyl- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.96; (6)ACD/BCF (pH 7.4): 25.96; (7)ACD/KOC (pH 5.5): 358.08; (8)ACD/KOC (pH 7.4): 358.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Å2; (13)Index of Refraction: 1.41; (14)Molar Refractivity: 33.46 cm3; (15)Molar Volume: 135 cm3; (16)Polarizability: 13.26×10-24 cm3; (17)Surface Tension: 20 dyne/cm; (18)Density: 0.85 g/cm3; (19)Flash Point: 5.7 °C; (20)Enthalpy of Vaporization: 31.72 kJ/mol; (21)Boiling Point: 91 °C at 760 mmHg; (22)Vapour Pressure: 62.1 mmHg at 25 °C.

Preparation of Silane, isocyanatotrimethyl-: this chemical is prepared by reaction of Sulfuric acid bis-trimethylsilanyl ester with Cyanic acid; potassium salt. The reaction needs reagent N-Methylpyrrolidon. The yield is about 91 %.

The Silane, isocyanatotrimethyl- can be obtained by Sulfuric acid bis-trimethylsilanyl ester and Cyanic acid; potassium salt.

Uses of Silane, isocyanatotrimethyl-: it is used to produce other chemicals. For example, it is used to produce 4-Ethyl-benzoic acid amide. This reaction needs reagents AlCl3 and HCl (gas). The reaction time is 1 hour with reaction temperature of 20 °C. The yield is about 82 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and respiratory system. In addition, this chemical is toxic by inhalation. Thus, the vapour of this chemical can not be breathed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, and it may catch fire on contacting with an ignition source.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C=N/[Si](C)(C)C
(2) InChI: InChI=1/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3
(3) InChIKey: NIZHERJWXFHGGU-UHFFFAOYAF

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