CAS No.24850-33-7,Allyltributyltin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	24850-33-7
Name:	Allyltributyltin
Article Data:	51

Formula:	C₁₅H₃₂Sn
Molecular Weight:	331.129
Synonyms:	Stannane,allyltributyl- (8CI);Stannane, tributyl-2-propenyl- (9CI);Tributyl-2-propenylstannane;(Propen-2-yl)tributyltin;2-Propenyltributylstannane;3-(Tributyltin)-1-propene;3-Tributylstannyl-1-propene;Allyltri-n-butylstannane;Allyltri-n-butyltin;Allyltributylstannane;Tributyl(2-propenyl)stannane;Tributylallylstannane;Tributylallyltin;
EINECS:	246-494-3
Density:	1.068 g/mL at 25 °C(lit.)
Melting Point:	134-135 °C
Boiling Point:	312.3 °C at 760 mmHg
Flash Point:	146.6 °C
Solubility:	Immiscible with water.
Appearance:	Clear colourless liquid
Hazard Symbols:	T,N
Risk Codes:	21-25-36/38-48/23/25-50/53-23/24/25
Safety:	35-36/37/39-45-60-61-28-27-26
Transport Information:	UN 2788 6.1/PG 2
PSA:	0.00000
LogP:	6.02150

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Specification

The Allyltributyltin with CAS registry number of 24850-33-7 is also known as Tributyl-2-propenylstannane. The systematic name is Allyltributylstannane. It belongs to product categories of Alkyl Metals; Sn (Tin) Compounds; Classes of Metal Compounds; Grignard Reagents & Alkyl Metals; Synthetic Organic Chemistry; Typical Metal Compounds; Organometallic Reagents; Organotin; Organotins; Stannanes. Its EINECS registry number is 246-494-3. In addition, the formula is C₁₅H₃₂Sn and the molecular weight is 331.12. This chemical is a clear colourless liquid and should be stored at the temperature of 2-8 °C and away from oxidants.

The characteristics of Allyltributyltin are as followings: (1)ACD/LogP: 9.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.1; (4)ACD/LogD (pH 7.4): 9.1; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2115076; (8)ACD/KOC (pH 7.4): 2115076; (9)#Freely Rotating Bonds: 11; (10)Flash Point: 146.6 °C; (11)Enthalpy of Vaporization: 53.12 kJ/mol; (12)Boiling Point: 312.3 °C at 760 mmHg; (13)Vapour Pressure: 0.00098 mmHg at 25 °C.

Uses of Allyltributyltin: it is used to produce 1-p-tolyl-but-3-en-1-ol by reaction with 4-methyl-benzaldehyde. The reaction occurs with reagent (E)-1-(p-tolyl)-3-chloro-prop-1-ene, solvent tetrahydrofuran and catalyst [Pd₂(dba)₃]*CHCl₃ at the temperature of 20 °C for 37 hours. The yield is about 83%.

Allyltributyltin is used to produce 1-p-tolyl-but-3-en-1-ol by reaction with 4-methyl-benzaldehyde.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and skin. What's more, it has danger of serious damage to health by prolonged exposure through inhalation and if swallowed. It is very toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. After contact with skin, take off immediately all contaminated clothing, and wash immediately. This material and its container must be disposed of as hazardous waste and avoid release to the environment. In case of accident or if you feel unwell seek medical advice immediately.

Addtionally, the following datas could be converted into the molecular structure:
1. SMILES: C=C\C[Sn](CCCC)(CCCC)CCCC
2. InChI: InChI=1/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;3H,1-2H2;/rC15H32Sn/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8H,4-7,9-15H2,1-3H3
3. InChIKey: YLGRTLMDMVAFNI-ZTXSNPFAAZ