Methyl trichloroacetate
Methyl trichloroacetate structure
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Common Name | Methyl trichloroacetate | ||
|---|---|---|---|---|
| CAS Number | 598-99-2 | Molecular Weight | 177.414 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 147.9±3.0 °C at 760 mmHg | |
| Molecular Formula | C3H3Cl3O2 | Melting Point | -18°C | |
| MSDS | Chinese USA | Flash Point | 72.8±0.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl trichloroacetate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 147.9±3.0 °C at 760 mmHg |
| Melting Point | -18°C |
| Molecular Formula | C3H3Cl3O2 |
| Molecular Weight | 177.414 |
| Flash Point | 72.8±0.0 °C |
| Exact Mass | 175.919861 |
| PSA | 26.30000 |
| LogP | 2.11 |
| Vapour Pressure | 4.3±0.3 mmHg at 25°C |
| Index of Refraction | 1.469 |
| InChIKey | VHFUHRXYRYWELT-UHFFFAOYSA-N |
| SMILES | COC(=O)C(Cl)(Cl)Cl |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S16 |
| RIDADR | UN 2533 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | AJ8380000 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
| HS Code | 29154000 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:77-78-1
CAS#:76-03-9
CAS#:116-54-1
CAS#:421-83-0
CAS#:76-02-8
CAS#:67-56-1
CAS#:56-23-5
CAS#:124-38-9
CAS#:116-16-5
CAS#:121-44-8
CAS#:1077-79-8
CAS#:5380-42-7
CAS#:4630-80-2
CAS#:946-80-5
CAS#:19784-46-4
CAS#:22086-33-5
CAS#:2510-33-0
CAS#:67-66-3
CAS#:106-70-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 29154000 |
|---|
This table lists relevant public references with title, journal and publication metadata for this compound.
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Stable chlorine isotope analysis of chlorinated acetic acids using gas chromatography/quadrupole mass spectrometry.
Rapid Commun. Mass Spectrom. 29 , 2341-8, (2015) The environmental occurrence of chlorinated acetic acids (CAAs) has been extensively studied, but the sources and transport are still not yet fully understood. A promising approach for source apportio... |
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Negative staining of proteins in polyacrylamide gels with methyl trichloroacetate.
Anal. Biochem. 243(2) , 245-8, (1996) This paper describes a new, sensitive (in the nanogram range), and rapid (two-step) technique for the negative staining of proteins in polyacrylamide gels in the presence or absence of sodium dodecyl ... |
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Methyl chloroacetate as an extraction solvent for coupling liquid-liquid semimicroextraction with micellar electrokinetic chromatography through on-capillary decomposition for the separation of neutral compounds with concentration enhancement.
J. Chromatogr. A. 1147(1) , 105-10, (2007) This paper reports the use of methyl chloroacetate (MCA) as an extraction solvent for coupling liquid-liquid semimicroextraction (LLsME) with micellar electrokinetic chromatography (MEKC) through on-c... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| methyl 2,2,2-trichloroethanoate |
| METHYL TRICHLOROACETATE PESTANAL |
| methyl trichloroacetrate |
| RARECHEM AL BF 1451 |
| GXGGVO1 |
| Methyltrichloroacetate |
| EINECS 209-960-7 |
| Acetic acid, 2,2,2-trichloro-, methyl ester |
| Trichlor-essigsaeure-methylester |
| TCA-METHYL ESTER |
| Methyl trichlroracetate |
| methyl 2,2,2-trichloroacetate |
| MFCD00000794 |
| Methyl trichloroacetate |
| Trichloroacetic acid methyl ester |
| methyl trichloroacetic acid |
| trichloro-aceticacimethylester |
| Acetic acid, trichloro-, methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of Methyl trichloroacetate? |
| A: LogP of Methyl trichloroacetate is 2.11. |
| Q: What is the polar surface area (PSA) of Methyl trichloroacetate? |
| A: Polar surface area (PSA) of Methyl trichloroacetate is 26.30000. |
| Q: What is the safety information for Methyl trichloroacetate? |
| A: Safety information for Methyl trichloroacetate: S26-S36-S16. |
| Q: What is the boiling point of Methyl trichloroacetate? |
| A: Boiling point of Methyl trichloroacetate is 147.9±3.0 °C at 760 mmHg. |
| Q: What is the molecular formula of Methyl trichloroacetate? |
| A: Molecular formula of Methyl trichloroacetate is C3H3Cl3O2. |
| Q: What are the upstream materials of Methyl trichloroacetate? |
| A: Related upstream materials(CAS) of Methyl trichloroacetate: 77-78-1;76-03-9;116-54-1;421-83-0;76-02-8;67-56-1;56-23-5;124-38-9;116-16-5;121-44-8. |
| Q: What is the SMILES notation of Methyl trichloroacetate? |
| A: SMILES notation of Methyl trichloroacetate is COC(=O)C(Cl)(Cl)Cl. |
| Q: What is the CAS number of Methyl trichloroacetate? |
| A: CAS number of Methyl trichloroacetate is 598-99-2. |
| Q: What is the molecular weight of Methyl trichloroacetate? |
| A: Molecular weight of Methyl trichloroacetate is 177.414. |
| Q: What is the InChIKey of Methyl trichloroacetate? |
| A: InChIKey of Methyl trichloroacetate is VHFUHRXYRYWELT-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |