(RS)-2-Methylbutyrylchlorid

Butanoyl chloride, 2-methyl-

HCID 93697CAS 57526-28-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCC(C)C(=O)Cl
InChIKey: XRPVXVRWIDOORM-UHFFFAOYSA-N
Summenformel: C5H9ClO
Durchschnittliche Molmasse: 120,58 g/mol
Monoisotopische Masse: 120,03419259

Namen und Bezeichner

Bevorzugter Name: Butanoyl chloride, 2-methyl-
IUPAC: 2-methylbutanoyl chloride
Lokaler Name: (RS)-2-Methylbutyrylchlorid
Englischer Name: DL-2-Methylbutyryl chloride
Summenformel: C5H9ClO
Molmasse: 120.58

Namen und Synonyme

57526-28-0Butanoyl chloride, 2-methyl-(RS)-2-Methylbutyryl chlorideEINECS 260-787-3DTXSID70872039RefChem:571581DTXCID90819643260-787-32-Methylbutanoyl chloride2-Methylbutyryl chloridedl-2-Methylbutyryl chlorideDL-2-Methylbutyrylchloride

Weitere Namen anzeigen

(+/-)-butanoylchlorid2-METHYLBUTYRYL HLORIDE2-METHYLBUTYROYL CHLORIDE2-Ethylpropanoyl chlorideDL-2-METHYLBUTYRL CHLORIDE2-Methylbutyrylchloride,99%

EthylmethylacetylchlorideDl-2-Methyl-Butyryl Chloride5856-79-1MFCD000417261217722-29-62-methyl-butyryl chloride2-Methylbutanoyl chloride #SCHEMBL505184

Datenbank-Bezeichner

CAS: 57526-28-0
PubChem CID: 93697
DTXSID: DTXSID70872039
EC Number: 260-787-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 70,5

Physikochemische Eigenschaften

Siedepunkt: 117 · 117-121 °C (lit.)
Dichte: 0.972 g/mL · 0.972 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.418(lit.)
Flammpunkt: 68 °F · 68 °F
storage temp.: Refrigerator (+4°C) + Flammables area
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: Reacts with water.
NIST chemische Informationen: Ethylmethylacetylchloride(57526-28-0)
EPA chemische Informationen: 2 · Butanoyl chloride, 2-methyl- (57526-28-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (61.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P370+P378, P390, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 242 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 25-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20378

Hazard Classes and CategoriesFlam. Liq. 2 (61.2%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
hs_code: 29130000
risk_code: 11-34
hazard_code: F,C
safety_code: 16-26-36/37/39-45
hazard_class: 3
packing_group: II

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationButanoyl chloride, 2-methyl-: ACTIVE

Anwendungen

Verwenden2-Methylbutyryl chloride was used in the synthesis of 2-methylbutyramide, N-((R,S)-2-methylbutanoyl)salicylhydrazide, 2-methyl-1-phenyl-1-butanone, 1,1-(1,3,7,9-tetrahydroxydibenzofuran-2,6-diyl)bis(2-methylbutan-1-one).