4-Methylvalerylchlorid

Pentanoyl chloride, 4-methyl-

HCID 170008CAS 38136-29-7

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Grundinformationen

Standard-SMILES: CC(C)CCC(=O)Cl
InChIKey: SVWCVXFHTHCJJB-UHFFFAOYSA-N
Summenformel: C6H11ClO
Durchschnittliche Molmasse: 134,6 g/mol
Monoisotopische Masse: 134,0498427

Namen und Bezeichner

Bevorzugter Name: Pentanoyl chloride, 4-methyl-
IUPAC: 4-methylpentanoyl chloride
Lokaler Name: 4-Methylvalerylchlorid
Englischer Name: 4-Methylvaleryl chloride
Summenformel: C6H11ClO
Molmasse: 134.6

Namen und Synonyme

4-Methylvaleryl chloride38136-29-74-methylpentanoyl chloridePentanoyl chloride, 4-methyl-EINECS 253-801-4DTXSID0068072RefChem:860011DTXCID4039445253-801-44-Methylvaleroyl ChlorideIsocaproyl chlorideMFCD00018814

Weitere Namen anzeigen

Methylvaleryl chloride4-methyl-pentanoylchloridG-METHYLVALEROYL CHLORIDE4-MethylvalerylChloride>4-Methylvaleric acid chloride

Isocapronyl chloride4-methylvaleric acid chloride4-Methylpentanoyl Chloride; 4-Methylvaleric Acid Chloride; 4-Methylvaleroyl Chloride;4-Methylvaleryl Chloride; Isocaproyl Chloride; Isohexanoyl Chloride; ?-Methylvaleroyl Chloride; ?-Methylvaleryl Chloride4-Methylvaleroylchloride4-Methypentanoyl chloride4-methyl-pentanoyl chloridegamma-methylvaleroyl chloride

Datenbank-Bezeichner

CAS: 38136-29-7
PubChem CID: 170008
DTXSID: DTXSID0068072
EC Number: 253-801-4
Nikkaji: J294.601G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 78

Physikochemische Eigenschaften

Siedepunkt: 144 °C · 144°C(lit.)
Dichte: 0.986 · 0.986±0.06 g/cm3(Predicted)
Brechungsindex: 1.423 to · 1.4230 to 1.4270
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
InChI: InChI=1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3
InChIKey: SVWCVXFHTHCJJB-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCC(C)C
EPA chemische Informationen: 4 · Pentanoyl chloride, 4-methyl- (38136-29-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H290 (96.3%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (96.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.