Trimethylsilyl bromoacetate
Basic information
- CAS
18291-80-0- Standard SMILES
C[Si](C)(C)OC(=O)CBr- InChIKey
ZCHHFMWUDHXPFN-UHFFFAOYSA-N- Molecular formula
- C5H11BrO2Si
- Average molar mass
- 211.13 g/mol
- Monoisotopic mass
- 209.97117
Names & identifiers
- Preferred name
- Trimethylsilyl bromoacetate
- IUPAC
- trimethylsilyl 2-bromoacetate
- English name
- Trimethylsilyl bromoacetate
- Molecular formula
- C5H11BrO2Si
- Molecular weight
- 211.13
Names & synonyms
Trimethylsilyl bromoacetate18291-80-0Acetic acid, 2-bromo-, trimethylsilyl esterEINECS 242-165-3DTXSID90171359RefChem:899905DTXCID9093850242-165-3trimethylsilyl 2-bromoacetateBromoacetic Acid Trimethylsilyl EsterAcetic acid, bromo-, trimethylsilyl esterMFCD00000187
Show more names
DK169rimethylsilyl2-bromoacetateTrimethylsilyl Bromoacetate >Trimethylsilyl bromoacetate 98%Trimethylsilyl bromoacetate, 98+%TriMethylsilyl broMoacetate, 98% 5GR2-Bromoacetic acid trimethylsilyl ester
C5H11BrO2SiSTQ49Q4PJQtrimethylsilyl monobromoacetateSCHEMBL3295212Bromoacetic acid, TMS derivativeZCHHFMWUDHXPFN-UHFFFAOYSA-Trimethylsilyl bromoacetate, 98%AKOS015836012
Database identifiers
- CAS
18291-80-0- PubChem CID
- 87554
- DTXSID
DTXSID90171359- UNII
- STQ49Q4PJQ
- EC Number
- 242-165-3
- Nikkaji
- J266.098I
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
Chemical ClassesMetals -> Metalloid Compounds (Silicon)
SpringerMaterials Properties29Si nuclear magnetic resonance spectrum
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 57 · 57-58 °C/9 mmHg (lit.)
- Density
- 1.284 g/mL · 1.284 g/mL at 25 °C (lit.)
- vapor density
- 1 · >1 (vs air)
- refractive index
- 20 · n20/D 1.442(lit.)
- Flash point
- 83 °F · 83 °F
- storage temp.
- Flammables area
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.299 · 1.299
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 10-19-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- No
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29310099
- risk_code
- 10-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
Chemistry & industry
Applications
UsesTrimethylsilyl bromoacetate has been used:in the preparation of new imidazolium salts functionalized with the trimethylsilyl ester groupas alkylating agent in the synthesis of succinate fragment of pantocin B (antibiotic natural product)in the synthesis of taxol derivatives tethered at C2′ and C-7 to glutamate and folate
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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