Isopropyl chloroacetate (HCID 7759)

Überblick

Isopropyl chloroacetate appears as a clear colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.

Namen und Bezeichner

Bevorzugter Name: Isopropyl chloroacetate
IUPAC: propan-2-yl 2-chloroacetate
Lokaler Name: Isopropylchloracetat
Englischer Name: Isopropyl chloroacetate
Summenformel: C5H9ClO2
Molmasse: 136.58

Namen und Synonyme

ISOPROPYL CHLOROACETATE105-48-6Chloroacetic acid isopropyl esterAcetic acid, chloro-, 1-methylethyl esterisopropyl 2-chloroacetateAcetic acid, 2-chloro-, 1-methylethyl esterAcetic acid, chloro-, isopropyl esterCCRIS 7748VNJ65NL2TFEINECS 203-301-7NSC 27789AI3-39184

Weitere Namen anzeigen

ClCH2AKOS BBS-00003849ClCH2C(O)OCH(CH3)2Isopropyl chloroacetIsopropylchloroacetrateISOPROPYL CHORO ACETATEisopropylchloroethanoateIsopropylChloroacetate>Isopropyl 2-chloroacetate

NSC-27789DTXSID6059316RefChem:792162DTXCID30329131-METHYLETHYL MONOCHLOROACETATEAcetic acid, chloro-, isopropyl ester (8CI)203-301-7propan-2-yl 2-chloroacetate

Datenbank-Bezeichner

CAS: 105-48-6
PubChem CID: 7759
DTXSID: DTXSID6059316
UNII: VNJ65NL2TF
EC Number: 203-301-7
Nikkaji: J79.199G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 80,5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 3rd degree

SpringerMaterials PropertiesBoiling point

Physical DescriptionIsopropyl chloroacetate appears as a clear colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals.

Physikochemische Eigenschaften

Siedepunkt: 149 · 149-150 °C(lit.)
Dichte: 1.096 g/mL · 1.096 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.419(lit.)
Flammpunkt: 159 °F · 159 °F
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: SLIGHTLY SOLUBLE
InChI: InChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
InChIKey: VODRWDBLLGYRJT-UHFFFAOYSA-N
SMILES: C(OC(C)C)(=O)CCl
CAS Datenbank: 105 · 105-48-6(CAS DataBase Reference)
NIST chemische Informationen: Chloroacetic acid isopropyl ester(105-48-6)
EPA chemische Informationen: 1 · Acetic acid, chloro-, 1-methylethyl ester (105-48-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory InformationThe 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 LabelFlammable Liquid

Fire Hazards · 2 Einträge

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 Einträge

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

· Inhalation or contact with material may irritate or burn skin and eyes.

DOT ID and Guide2947 127

Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

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

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:

Immediate precautionary measure

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: UN 2947
hs_code: 29154000
risk_code: 10-25-36/37/38
hazard_code: T
safety_code: 26-37/39-45-1/2
hazard_class: 3
packing_group: III

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetic acid, 2-chloro-, 1-methylethyl ester: ACTIVE

Anwendungen

VerwendenIsopropyl Chloroacetate is used as a reactant in the design, synthesis, and 3D-QSAR analysis of novel oxadiazolones as protoporphyrinogen oxidase inhibitors.