Grundinformationen
- Standard-SMILES
COC(=O)C(C)Cl- InChIKey
JLEJCNOTNLZCHQ-UHFFFAOYSA-N- Summenformel
- C4H7ClO2
- Durchschnittliche Molmasse
- 122,55 g/mol
- Monoisotopische Masse
- 122,01345714
Überblick
Methyl 2-chloropropionate appears as a colorless liquid. Insoluble in water. Irritating and narcotic in high concentrations. Used as a solvent and for making other chemicals and dyes.
Namen und Bezeichner
- Bevorzugter Name
- Methyl 2-chloropropionate
- IUPAC
- methyl 2-chloropropanoate
- Lokaler Name
- Methyl-2-chlorpropionat
- Englischer Name
- Methyl 2-chloropropionate
- Summenformel
- C4H7ClO2
- Molmasse
- 122.55
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
17639-93-9- PubChem CID
- 28659
- DTXSID
DTXSID60864786- UNII
- FDN17EXK1J
- EC Number
- 241-624-5
- Nikkaji
- J34.936D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 72,1
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -10 °C · -10 °C
- Siedepunkt
- 132 · 132-133 °C(lit.)
- Dichte
- 1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
- Dampfdichte
- 4.22 · 4.22 (vs air)
- Dampfdruck
- 5.25 mm · 5.25 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.417(lit.)
- Flammpunkt
- 101 °F · 101 °F
- storage temp.
- 5 °C · Store at +5°C to +30°C.
- Löslichkeit
- Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- clear liquid
- Wichte
- 1.075 · 1.075
- Farbe
- Colorless to Almost colorless
- PH
- 6 · 6-7 (H2O, 20℃)
- Explosionsgrenze
- 2.8 · 2.8-13.9%(V)
- Wasserlöslichkeit
- immiscible
- BRN
- 1421535 · 1421535
- Stabilität
- Stable. Flammable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3
- InChIKey
- JLEJCNOTNLZCHQ-UHFFFAOYSA-N
- SMILES
- ClC(C)C(=O)OC
- CAS Datenbank
- 17639 · 17639-93-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Methyl 2-chloropropionate(17639-93-9)
- EPA chemische Informationen
- 2 · Propanoic acid, 2-chloro-, methyl ester (17639-93-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 91 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2-chloro-, methyl ester
Status: Active Update: 09-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5504
Methyl 2-chloropropionate: 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.)
Fire Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
Reactivity Profile
METHYL 2-CHLOROPROPIONATE is a halogenated ester. Reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Reacts exothermically with bases. Flammable hydrogen is generated with alkali metals and hydrides.
DOT Hazard Classification
Methyl 2-chloropropionate
UN2933
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG III: the degree of danger presented by the material is minor
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
Flammable agents - 3rd degree
Sicherheit und Schutzausrüstung
Accidental Release Measures
· 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
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Immediate precautionary measure
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2933
- hs_code
- 29159080
- RTECS-Nr.
- UE9100000
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Selbstentzündungstemperatur
- 430 °C DIN 51794
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenMethyl 2-chloropropionate is used as initiator during the synthesis of acrylamide homopolymers and acrylamide-N-isopropylacrylamide block copolymers. It is also used to produce 2-thiophen-2-yl-propionic acid methyl ester.
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