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191606-78-7

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Basic Information
CAS No.: 191606-78-7
Name: 1-Methyl-5-(tributylstannyl)-3-(trifluoromethyl)-1H-pyrazole
Molecular Structure:
Molecular Structure of 191606-78-7 (1-Methyl-5-(tributylstannyl)-3-(trifluoromethyl)-1H-pyrazole)
Formula: C17H31 F3 N2 Sn
Molecular Weight: 439.152
Synonyms: 1-Methyl-3-trifluoromethyl-5-tributylstannylpyrazole
Density: g/cm3
Boiling Point: 396.4°Cat760mmHg
Flash Point: 193.5°C
Hazard Symbols:
Risk Codes: R20/21/22;R36/37/38   
Safety:
Hazard Codes Xn
Risk Statements 20/21/22-36/37/38
Safety Statements 23-26-36/37/39
Hazard Note Harmful
PSA: 17.82000
LogP: 5.49500
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Chemistry

Molecular Structure of 1-Methyl-5-(tributylstannyl)-3-(trifluoromethyl)-1H-pyrazole (CAS No.191606-78-7):
 
Molecular Formula: C17H31F3N2Sn
Molecular Weight: 439.1466
CAS No: 191606-78-7
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 10
Polar Surface Area: 17.82 Å2
Flash Point: 193.5 °C
Enthalpy of Vaporization: 62.14 kJ/mol
Boiling Point: 396.4 °C at 760 mmHg
Vapour Pressure: 3.92E-06 mmHg at 25°C
Systematic Name: 1-Methyl-5-(tributylstannanyl)-3-(trifluoromethyl)-1H-pyrazole
InChI: InChI=1/C5H4F3N2.3C4H9.Sn/c1-10-3-2-4(9-10)5(6,7)8;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;/rC17H31F3N2Sn/c1-5-8-11-23(12-9-6-2,13-10-7-3)16-14-15(17(18,19)20)21-22(16)4/h14H,5-13H2,1-4H3
InChIKey: KZKSCFOBDCKLCL-LREJCQRNAC
Std. InChI: InChI=1S/C5H4F3N2.3C4H9.Sn/c1-10-3-2-4(9-10)5(6,7)8;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
Std. InChIKey: KZKSCFOBDCKLCL-UHFFFAOYSA-N
Product Categories: Stannanes

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-26-36/37/39
S23:Do not breathe vapour. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Harmful

Specification

  1-Methyl-5-(tributylstannyl)-3-(trifluoromethyl)-1H-pyrazole (CAS No.191606-78-7), its synonyms are 1H-Pyrazole, 1-methyl-5-(tributylstannyl)-3-(trifluoromethyl)- ; 1-Methyl-3-trifluoromethyl-5-tributylstannylpyrazole .