Basic information
- CAS
24850-33-7- Standard SMILES
C=C[CH2][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC- InChIKey
YLGRTLMDMVAFNI-UHFFFAOYSA-N- Molecular formula
- C15H32Sn
- Average molar mass
- 331.12 g/mol
- Monoisotopic mass
- 332.15259572
Names & identifiers
- Preferred name
- Allyltributylstannane
- IUPAC
- tributyl(prop-2-enyl)stannane
- English name
- Allyltributyltin
- Molecular formula
- C15H32Sn
- Molecular weight
- 331.12
Names & synonyms
Show more names
Database identifiers
- CAS
24850-33-7- PubChem CID
- 90628
- DTXSID
DTXSID50179553- UNII
- AOR8OD4103
- EC Number
- 246-494-3
- Nikkaji
- J236.685A
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 134 · 134-135 °C
- Boiling point
- 88 · 88-92 °C0.2 mm Hg(lit.)
- Density
- 1.068 g/mL · 1.068 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.486(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- color
- Clear colorless
- Specific Gravity
- 1.068 · 1.068
- Water Solubility
- Immiscible with water.
- Hydrolytic Sensitivity
- 1 · 1: no significant reaction with aqueous systems
- Sensitive
- Air Sensitive
- BRN
- 3588340 · 3588340
- Exposure limits
- 0.1 mg/m3; · ACGIH: TWA 0.1 mg/m3; STEL 0.2 mg/m3 (Skin)NIOSH: IDLH 25 mg/m3; TWA 0.1 mg/m3
- Stability
- Air Sensitive
- InChI
- 1S/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;3H,1-2H2;
- InChIKey
- YLGRTLMDMVAFNI-UHFFFAOYSA-N
- SMILES
- CCCC[Sn](CCCC)(CCCC)CC=C
- CAS DataBase Reference
- 24850 · 24850-33-7(CAS DataBase Reference)
- FDA UNII
- 8 OD4103 · AOR8OD4103
- NIST Chemistry Reference
- Allyltributyltin(24850-33-7)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H312-H315-H319-H360FD-H372-H410
- Precautionary statements
- 201 · P201-P273-P280-P301+P310-P302+P352+P312-P305+P351+P338
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,N
- Risk Statements
- 21 · 21-25-36/38-48/23/25-50/53-23/24/25
- Safety Statements
- 35 · 35-36/37/39-45-60-61-28-27-26
- RIDADR
- 2788 · UN 2788 6.1/PG 2
- WGK Germany
- 3 · 3
- F
- 13 · 13
- TSCA
- No
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29319019 · 29319019
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 13
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- No
- ridadr
- UN 2788 6.1/PG 2
- hs_code
- 29319019
- risk_code
- 21-25-36/38-48/23/25-50/53-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- T,N
- safety_code
- 35-36/37/39-45-60-61-28-27-26
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- II
- Hazard statements
- H301-H312-H315-H319-H360FD-H372-H410
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1
- Precautionary statements
- P201-P273-P280-P301+P310-P302+P352+P312-P305+P351+P338
Chemistry & industry
Applications
UsesAllylation reagent for aldehydes catalyzed by chiral Lewis acids1,2 and ytterbium(III) trifluoromethanesulfonate (cat. no. 430595).3 Undergoes tetrakis(triphenylphosphine)palladium(0) (cat. no. 216666) catalyzed coupling with iodoquinones4 and allyl acetates.5,6Efficient allylation of aldehydes leading to homoallylic alcohols with trichloro-1,3,5-triazene.7
UsesAllylation reagent for aldehydes catalyzed by chiral Lewis acids and ytterbium(III) trifluoromethanesulfonate (cat. no. 430595). Undergoes tetrakis(triphenylphosphine)palladium(0) (cat. no. 216666) catalyzed coupling with iodoquinones and allyl acetates.Efficient allylation of aldehydes leading to homoallylic alcohols with trichloro-1,3,5-triazene.
Upstream & downstream products
Downstream products
Suppliers100 total
Related reactions
Compound notes
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