Basic information
- CAS
598-99-2- Standard SMILES
COC(=O)C(Cl)(Cl)Cl- InChIKey
VHFUHRXYRYWELT-UHFFFAOYSA-N- Molecular formula
- C3H3Cl3O2
- Average molar mass
- 177.41 g/mol
- Monoisotopic mass
- 175.91986238
Overview
Methyl trichloroacetate appears as a colorless liquid. Insoluble in water and denser than water. Contact may slightly irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Names & identifiers
- Preferred name
- Methyl trichloroacetate
- IUPAC
- methyl 2,2,2-trichloroacetate
- English name
- Methyl trichloroacetate
- Molecular formula
- C3H3Cl3O2
- Molecular weight
- 177.41
Names & synonyms
METHYL TRICHLOROACETATE598-99-2Acetic acid, trichloro-, methyl esterMethyl trichloroacetic acidAcetic acid, 2,2,2-trichloro-, methyl esterNSC-38452N9HBT62EHKDTXSID0060517RefChem:818108DTXCID3042714209-960-7methyl 2,2,2-trichloroacetate
Show more names
oroacetateTCA-Methyl estTCA-METHYL ESTERRARECHEM AL BF 1451Methyltrichloroacetate,99%
Trichloroacetic Acid Methyl EsterMethyl trichlroracetatePiracetam Impurity 9MFCD00000794C3H3Cl3O2MethyltrichloroacetateEINECS 209-960-7NSC 38452
Database identifiers
- CAS
598-99-2- PubChem CID
- 11739
- DTXSID
DTXSID0060517- UNII
- N9HBT62EHK
- EC Number
- 209-960-7
- Nikkaji
- J482K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 95.2
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Chloroacetic Acid Derivatives
SpringerMaterials PropertiesChemical shift
LogP2.03
Vapor Pressure5.5 [mmHg]
Physical Description
Methyl trichloroacetate appears as a colorless liquid. Insoluble in water and denser than water. Contact may slightly irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Colorless liquid; [CAMEO]
Physicochemical properties
- Melting point
- -18 °C · -18°C
- Boiling point
- 152 · 152-153 °C (lit.)
- Density
- 1.488 g/mL · 1.488 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.455(lit.)
- Flash point
- 163 °F · 163 °F
- storage temp.
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Acetic acid, trichloro-, methyl ester
Status: Active Update: 24-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11414
Methyl trichloroacetate: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards SummaryMay cause mild irritation; [CAMEO] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Trichloroacetic acid and Sodium trichloroacetate.
DOT ID and Guide2533 156
Chemistry & industry
Uses & manufacturing
UsesUsed to make other chemicals; [CAMEO]
General Manufacturing InformationAcetic acid, 2,2,2-trichloro-, methyl ester: ACTIVE
Applications
UsesMethyl trichloroacetate was used for negative staining of protein that allowed unmodified proteins to be recovered for biological studies or transblot for amino acid sequence.
General DescriptionMethyl trichloroacetate appears as a colorless liquid. Insoluble in water and denser than water. Contact may slightly irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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