Methyl trichlroracetate - ≥99% , CAS No.598-99-2

CAS: 598-99-2 Cat. No.: M112702 Formula: C3H3Cl3O2 Peso molecolare: 177.42 Beilstein Registry Number: 1756075 Numero EC: 209-960-7
Disponibile su ordine
GRADE & PURITY ≥99%
Synonyms
J-522640 | LS-12949 | Methyl trichloroacetate [UN2533] [Poison] | NSC 38452 | SCHEMBL722674 | Acetic acid, trichloro-, methyl ester (6CI,7CI,8CI,9CI); Methyl trichloroacetate; Methyl ?,?,?-trichloroacetate; NSC 38452; Trichloroacetic acid methyl ester |
Storage
Room temperature
Shipped In
FedEx DG Service
★
Size
Germania (EU)
USA*
Price
Qty
25g
M112702-25g
—
2 Disponibile

19,87€

23,34€
Salva 3,47 € (14.87%)
100g
M112702-100g
3 Disponibile
4 Disponibile
71,94€
500g
M112702-500g
1 Disponibile
2 Disponibile

222,05€

277,59€
Salva 55,54 € (20.01%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
J-522640 | LS-12949 | Methyl trichloroacetate [UN2533] [Poison] | NSC 38452 | SCHEMBL722674 | Acetic acid, trichloro-, methyl ester (6CI,7CI,8CI,9CI); Methyl trichloroacetate; Methyl ?,?,?-trichloroacetate; NSC 38452; Trichloroacetic acid methyl ester |
Specifiche e purezza
≥99%
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
FedEx DG Service
Purezza
≥99%
Nomi e identificatori
Pubchem Sid504752186
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752186
Sorrisi canoniciCOC(=O)C(Cl)(Cl)Cl
IUPAC Namemethyl 2,2,2-trichloroacetate
InChIKeyVHFUHRXYRYWELT-UHFFFAOYSA-N
INCHI1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3
Isomeri SMILES COC(=O)C(Cl)(Cl)Cl
WGK Germania 3
RTECS AJ8380000
Numero UN 2533
Gruppo di imballaggio III
Peso molecolare 177.42
Beilstein 1756075
Reaxy-Rn 1756075
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756075&ln=

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClasseCarboxylic acids and derivatives
SubclassCarboxylic acid derivatives
Intermediate Tree Nodes Carboxylic acid esters
Direct ParentMethyl esters
Alternative Parents Alpha-halocarboxylic acid derivatives  Monocarboxylic acids and derivatives  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl chlorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Methyl ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDataOggetto
K2130285Certificate of AnalysisSep 24, 2025 M112702
K2130286Certificate of AnalysisSep 24, 2025 M112702
K2130426Certificate of AnalysisSep 24, 2025 M112702
D1509020Certificate of AnalysisJan 05, 2023 M112702
Proprietà chimiche e fisiche
SolubilitàSlightly soluble in water, easily soluble in ethanol and ether.
SensibilitàMoisture sensitive.
Indice di rifrazione1.4572
Punto di infiammabilità (°F)161.6 °F
Punto di infiammabilità (°C)72℃
Punto di ebollizione (°C)153.8°C
Punto di fusione (°C)-17.5°C
Peso molecolare177.410 g/mol
XLogP32.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass175.92 Da
Monoisotopic Mass175.92 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count8
Formal Charge0
Complexity95.200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at room temperature.
How is this product shipped?
This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 598-99-2, the molecular formula is C3H3Cl3O2, and the molecular weight is 177.42 g/mol. InChIKey VHFUHRXYRYWELT-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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