Sebacoyldichlorid

Sebacoyl chloride

HCID 66072CAS 111-19-3

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Grundinformationen

Standard-SMILES: O=C(Cl)CCCCCCCCC(=O)Cl
InChIKey: WMPOZLHMGVKUEJ-UHFFFAOYSA-N
Summenformel: C10H16Cl2O2
Durchschnittliche Molmasse: 239,14 g/mol
Monoisotopische Masse: 238,05273511

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: Sebacoyl chloride
IUPAC: decanedioyl dichloride
Lokaler Name: Sebacoyldichlorid
Englischer Name: Sebacoyl chloride
Summenformel: C10H16Cl2O2
Molmasse: 239.14

Namen und Synonyme

Sebacoyl chlorideDecanedioyl dichloride111-19-3Sebacoyl dichlorideSebacyl chlorideDecanedioyl chlorideSebacic acid dichlorideSebacic acid chlorideDecanedioic dichloride8JT2RJH7AUNSC-56763DTXSID3059397

Weitere Namen anzeigen

sebacoylSEBACRYL CHLORIDESebacoyldichloridsebacicacidchlorideSebacoyl chloride,99%

RefChem:182113DTXCID8033192203-843-4C10H16Cl2O2Sebacateyl chlorideMFCD00000770octane-1,8-dicarbonyl chlorideEINECS 203-843-4

Datenbank-Bezeichner

CAS: 111-19-3
PubChem CID: 66072
DTXSID: DTXSID3059397
UNII: 8JT2RJH7AU
EC Number: 203-843-4
Nikkaji: J193.590I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 9
Schwere Atome: 14
Formalladung: 0
Komplexität: 161

Experimentelle und physikochemische Eigenschaften

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionColorless liquid with an irritating odor; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -2.5 °C · -2.5 °C
Siedepunkt: 220 °C · 220 °C
Dichte: 1.121 g/mL · 1.121 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.468(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Miscible with hydrocarbons and ethers.
Aggregatzustand: liquid
Farbe: yellow
Wichte: 1.121 · 1.121
BRN: 1365665 · 1365665
Stabilität: Reacts violently with water liberating toxic gas. Incompatible with water, oxidizing agents, amines, alcohols.
InChI: 1S/C10H16Cl2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2
InChIKey: WMPOZLHMGVKUEJ-UHFFFAOYSA-N
SMILES: ClC(=O)CCCCCCCCC(Cl)=O
CAS Datenbank: 111 · 111-19-3(CAS DataBase Reference)
EPA chemische Informationen: Decanedioyl dichloride (111-19-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Decanedioyl dichloride

Sebacoyl dichloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

A severe eye irritant; Causes tremor and hematuria in intraperitoneal lethal-dose studies of rats; Causes muscle weakness in oral lethal-dose studies of rats; [RTECS] Reacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS] See Sebacic acid.

Hazard Classes and CategoriesAcute Tox. 4 (100%)