Methyl dichloroacetate

HCID 8315CAS 116-54-1

Grundinformationen

Standard-SMILES
COC(=O)C(Cl)Cl
InChIKey
HKMLRUAPIDAGIE-UHFFFAOYSA-N
Summenformel
C3H4Cl2O2
Durchschnittliche Molmasse
142,97 g/mol
Monoisotopische Masse
141,95883473

Überblick

Methyl dichloroacetate appears as a colorless liquid with an ethereal odor. Combustible. Flash point 176 °F. Corrosive to metals and tissue. Used to make other chemicals.

Namen und Bezeichner

Bevorzugter Name
Methyl dichloroacetate
IUPAC
methyl 2,2-dichloroacetate
Englischer Name
Dichloroacetic acid methyl ester
Summenformel
C3H4Cl2O2
Molmasse
142.97

Namen und Synonyme

METHYL DICHLOROACETATEDichloroacetic acid methyl esterAcetic acid, 2,2-dichloro-, methyl esterCCRIS 7740NSC 2882EINECS 204-146-8HG7W497BZUUN2299AI3-18187NSC-2882DTXSID2059433UN 2299
Weitere Namen anzeigen
TwoMethyl chloroacetatemethyldichloroethanoatemethyl2,2-dichloroacetateDichloroacetic acid methylMethyl Dichloroacetate >Methyl dichloroacetate,purumMETHYL DICHLOROACETATE, 99+%dichloro-aceticacimethylester
ACETIC ACID,DICHLORO,METHYL ESTERDicloroacetato de metiloDichloracetate de methyleRefChem:157843Methyl 2,2dichloroacetateDTXCID6033372Acetic acid, dichloro, methyl esterAcetic acid, 2,2dichloro, methyl ester

Datenbank-Bezeichner

CAS
116-54-1
PubChem CID
8315
DTXSID
DTXSID2059433
UNII
HG7W497BZU
EC Number
204-146-8
Nikkaji
J38.900E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Halogenated Esters

Flammable agents - 2nd degree

SpringerMaterials PropertiesSchoenflies notation
Density1.3774 at 68 °F (USCG, 1999) - Denser than water; will sink
Flash Point176 °F (USCG, 1999)
Boiling Point289 °F at 760 mmHg (USCG, 1999)
Melting Point-62 °F (USCG, 1999)

Physikochemische Eigenschaften

Schmelzpunkt
-52 °C · -52 °C (lit.)
Siedepunkt
143 °C · 143 °C (lit.)
Dichte
1.381 g/mL · 1.381 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.442(lit.)
Flammpunkt
176 °F · 176 °F
storage temp.
room temp

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, 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 61 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H227: Combustible liquid [Warning Flammable liquids]

Gefahrenhinweise

Regulatory Information · 3 Einträge

Status: Active Update: 31-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17723

Methyl dichloroacetate: 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 · 2 Einträge

Special Hazards of Combustion Products: Produces toxic fumes of phosgene and HCl. (USCG, 1999)

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2 Einträge

Extremely destructive to the eyes, nose, throat, and upper respiratory tract. May be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema. Symptoms of exposure include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting. (USCG, 1999)

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Hazards Summary · 1 Eintrag

Reacts with water producing dichloroacetic acid; Corrosive to tissue; [CAMEO] Hydrolyzed evolving corrosive products; Causes severe skin irritation and serious eye injury; Brief contact can causes second- and third-degree skin burns; Inhalation may cause pulmonary edema and chemical pneumonitis; [CHRIS] Causes focal lung fibrosis and GI changes in inhalation lethal-concentration studies of rats; [RTECS] Reacts with water; Causes burns (especially if skin is wet or moist); Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS]

DOT ID and Guide2299 156

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Call a physician.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:

Immediate precautionary measure

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (rat) = 2,000 ppm/30min

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2299
hs_code
29154000
RTECS-Nr.
AG6625000
risk_code
20-36/37/38-40-38-11

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make other chemicals; [CAMEO]
General Manufacturing InformationAcetic acid, 2,2-dichloro-, methyl ester: ACTIVE

Anwendungen

VerwendenDichloroacetic Acid Methyl Ester is used in the preparation of telechelics and block copolymers through living radical polymerization.

Anbieter50 Anbieter

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