Heptanoylchlorid

Heptanoyl chloride

HCID 17313CAS 2528-61-2

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Grundinformationen

Standard-SMILES: CCCCCCC(=O)Cl
InChIKey: UCVODTZQZHMTPN-UHFFFAOYSA-N
Summenformel: C7H13ClO
Durchschnittliche Molmasse: 148,63 g/mol
Monoisotopische Masse: 148,06549272

Namen und Bezeichner

Bevorzugter Name: Heptanoyl chloride
IUPAC: heptanoyl chloride
Lokaler Name: Heptanoylchlorid
Englischer Name: Heptanoyl chloride
Summenformel: C7H13ClO
Molmasse: 148.63

Namen und Synonyme

HEPTANOYL CHLORIDE2528-61-2Enanthyl chlorideheptanoylchloriden-Heptanoyl chlorideEnanthic chlorideEnanthoyl chlorideheptanoic acid chlorideMFCD00000763Z2P33BJ4B5Oenanthic chlorideenanthylchloride

Weitere Namen anzeigen

HeptanoyLheptanoylchloridn-hetanoyl chlorideHEPTANOYL-2-CHLORIDE

Enanthoyl Chloride; Enanthyl Chloride; Heptanoic Acid Chloride; n-Heptanoyl ChlorideEINECS 219-775-3C6H13COClHeptanoyl chloride, 99%EC 219-775-3UNII-Z2P33BJ4B5SCHEMBL825395DTXSID8062496

Datenbank-Bezeichner

CAS: 2528-61-2
PubChem CID: 17313
DTXSID: DTXSID8062496
UNII: Z2P33BJ4B5
EC Number: 219-775-3
Nikkaji: J95.639B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 5
Schwere Atome: 9
Formalladung: 0
Komplexität: 81

Experimentelle und physikochemische Eigenschaften

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless to light yellow liquid with a pungent odor; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -84 °C · -84 °C
Siedepunkt: 173 °C · 173 °C (lit.)
Dichte: 0.96 g/mL · 0.96 g/mL at 25 °C (lit.)
Dampfdruck: 1.18 hPa · 1.18hPa at 20℃
Brechungsindex: 20 · n20/D 1.43(lit.)
Flammpunkt: 137 °F · 137 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Chloroform
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: REACTS
BRN: 605636 · 605636
Stabilität: Moisture Sensitive
InChI: 1S/C7H13ClO/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
InChIKey: UCVODTZQZHMTPN-UHFFFAOYSA-N
SMILES: CCCCCCC(Cl)=O
CAS Datenbank: 2528 · 2528-61-2(CAS DataBase Reference)
NIST chemische Informationen: Heptanoyl chloride(2528-61-2)
EPA chemische Informationen: Heptanoyl chloride (2528-61-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H290 (68.4%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 158 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 27-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13180

Hazards SummaryReacts with water evolving toxic gas; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; A lachrymator; Harmful by ingestion, inhalation, and skin absorption; [Acros Organics MSDS]

Hazard Classes and CategoriesMet. Corr. 1 (68.4%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 9-21
wgk: 1
tsca: TSCA listed
ridadr: UN 2920 8/PG 2
hs_code: 29159000
risk_code: 26-34-37
hazard_code: T+,C
safety_code: 26-36/37/39-38-45-25
hazard_class: 8
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 1 InhalationAquatic Chronic 3Eye Dam. 1Skin Corr. 1B