Specification: |
The Dimethoxymethylphenylsilane, with the CAS registry number 3027-21-2, has the systematic name of Benzene, (dimethoxymethylsilyl)-. Being a kind of colorless or yellowish transparent liquid, its product categories are including Organics; Dialkoxysilanes; Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Silane Coupling Agents (Intermediates); Si-O Compounds; Phenyl Silanes.
The characteristics of this chemical are as follows: (1)ACD/LogP: 3.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.82; (4)ACD/LogD (pH 7.4): 3.82; (5)ACD/BCF (pH 5.5): 473.63; (6)ACD/BCF (pH 7.4): 473.63; (7)ACD/KOC (pH 5.5): 2862.1; (8)ACD/KOC (pH 7.4): 2862.1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 52.87 cm3; (15)Molar Volume: 187.6 cm3; (16)Polarizability: 20.96×10-24 cm3; (17)Surface Tension: 26.1 dyne/cm; (18)Density: 0.97 g/cm3; (19)Flash Point: 80.6 °C; (20)Enthalpy of Vaporization: 41.79 kJ/mol; (21)Boiling Point: 199.5 °C at 760 mmHg; (22)Vapour Pressure: 0.48 mmHg at 25°C; (23)Exact Mass: 182.076306; (24)MonoIsotopic Mass: 182.076306; (25)Topological Polar Surface Area: 18.5; (26)Heavy Atom Count: 12; (27)Complexity: 129.
When you are dealing with this chemical, you should be cautious. For being a kind of chemical which is irritating to eyes, respiratory system and skin, it may also cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CO[Si](C)(C1=CC=CC=C1)OC
(2)InChI: InChI=1S/C9H14O2Si/c1-10-12(3,11-2)9-7-5-4-6-8-9/h4-8H,1-3H3
(3)InChIKey: CVQVSVBUMVSJES-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
mouse |
LD50 |
oral |
680mg/kg (680mg/kg) |
|
"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1234, 1986. |
rat |
LD50 |
oral |
892mg/kg (892mg/kg) |
BEHAVIORAL: FLUID INTAKE
BEHAVIORAL: COMA |
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(2), Pg. 50, 1978. |
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