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Trimethylsilyl Bromoacetate - >97.0%(GC), high purity , CAS No.18291-80-0

COA

Grade & Purity:

≥97%(GC)

Cas Number: 18291-80-0
Molecular Weight: 211.13
Beilstein Registry Number: 1927560
MDL number: MFCD00000187
PubChem CID: 87554

In stock

Item Number

T161572

Grouped product items
SKU	Size	Availability	Price
T161572-1g	1g	3	$12.90
T161572-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$46.90
T161572-25g	25g	2	$209.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	Bromoacetic acid, TMS derivative \| LS-13081 \| MFCD00000187 \| Trimethylsilyl bromoacetate, 98% \| Bromoacetic Acid Trimethylsilyl Ester \| ZCHHFMWUDHXPFN-UHFFFAOYSA- \| J-011704 \| ZCHHFMWUDHXPFN-UHFFFAOYSA-N \| AKOS015836012 \| FT-0637672 \| B1578 \| EINECS 242-1
Specifications & Purity	≥97%(GC)
Shipped In	Normal
Product Description	Trimethylsilyl bromoacetate has been used: ? in the preparation of new imidazolium salts functionalized with the trimethylsilyl ester group ? as 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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organometallic compounds
  - Class Organometalloid compounds
    - Subclass Organosilicon compounds

Kingdom	Organic compounds
Superclass	Organometallic compounds
Class	Organometalloid compounds
Subclass	Organosilicon compounds
Intermediate Tree Nodes	Not available
Direct Parent	Trimethylsilyl esters
Alternative Parents	Trialkylheterosilanes Alpha-halocarboxylic acid derivatives Carboxylic acid salts Organic metalloid salts Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Trimethylsilyl ester - Alpha-halocarboxylic acid derivative - Trialkylheterosilane - Alpha-halocarboxylic acid or derivatives - Carboxylic acid salt - Organoheterosilane - Carboxylic acid derivative - Organic metalloid salt - Monocarboxylic acid or derivatives - Alkyl bromide - Organobromide - Organohalogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as trimethylsilyl esters. These are organoheterosilanes, bearing a silicon atom that is linked to three methyl groups and is O-esterified.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	trimethylsilyl 2-bromoacetate
INCHI	InChI=1S/C5H11BrO2Si/c1-9(2,3)8-5(7)4-6/h4H2,1-3H3
InChIKey	ZCHHFMWUDHXPFN-UHFFFAOYSA-N
Smiles	C[Si](C)(C)OC(=O)CBr
Isomeric SMILES	C[Si](C)(C)OC(=O)CBr
WGK Germany	3
PubChem CID	87554
Molecular Weight	211.13
Beilstein	1927560
Reaxy-Rn	1927560

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
I2202118	Certificate of Analysis	Jul 15, 2022	T161572

Chemical and Physical Properties

Sensitivity	Moisture Sensitive
Refractive Index	1.44
Flash Point(°F)	116.6 °F
Flash Point(°C)	47 °C
Boil Point(°C)	83 °C/28 mmHg
Molecular Weight	211.130 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	209.971 Da
Monoisotopic Mass	209.971 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	108.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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