5-Chlorvalerylchlorid

5-Chlorovaleryl chloride

HCID 74089CAS 1575-61-7

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Grundinformationen

Standard-SMILES: O=C(Cl)CCCCCl
InChIKey: SVNNWKWHLOJLOK-UHFFFAOYSA-N
Summenformel: C5H8Cl2O
Durchschnittliche Molmasse: 155,02 g/mol
Monoisotopische Masse: 153,99522024

Überblick

an alkylating agent; structure in first source

Namen und Bezeichner

Bevorzugter Name: 5-Chlorovaleryl chloride
IUPAC: 5-chloropentanoyl chloride
Lokaler Name: 5-Chlorvalerylchlorid
Englischer Name: 5-Chlorovaleryl chloride
Summenformel: C5H8Cl2O
Molmasse: 155.02

Namen und Synonyme

5-Chlorovaleryl chloride1575-61-7Valeryl chloride, 5-chloro-DTXSID601662725-CVC cpdRefChem:102413DTXCID4088763216-403-15-Chloropentanoyl chloride5-Chlorovaleroyl chloridePentanoyl chloride, 5-chloro-5-Chlorovalerylchloride

Weitere Namen anzeigen

5-ChlorvalerylchloridorovaL5-Chlorovaleryl5-Cl-valeryl ClApixaban Impurity 565-chloro aMyl chloride5 - chlorine e chloride5-chloro-valerylchlorid

MFCD000007585-chlorovaleric acid chloride5-chloro-pentanoyl chlorideNSC-84182EINECS 216-403-1NSC 84182BRN 1745182chlorovaleryl chloride

Datenbank-Bezeichner

CAS: 1575-61-7
PubChem CID: 74089
DTXSID: DTXSID60166272
UNII: MA49NLR6V9
EC Number: 216-403-1
Nikkaji: J40.784D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 8
Formalladung: 0
Komplexität: 72,8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Siedepunkt: 38 · 38-39 °C0.15 mm Hg(lit.)
Dichte: 1.206 g/mL · 1.206 g/mL at 20 °C
Brechungsindex: 20 · n20/D 1.464(lit.)
Flammpunkt: 195 °F · 195 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Acetonitrile (Slightly), Chloroform (Sparingly)
Aggregatzustand: Liquid
Farbe: Clear colorless to slightly yellow
Wichte: 1.2 · 1.200
PH: 7 · <7 (H2O, 20℃)
Explosionsgrenze: 2 · 2.0-10.2%(V)
Wasserlöslichkeit: reacts
BRN: 1745182 · 1745182
Stabilität: Corrosive, Moisture Sensitive
InChI: 1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey: SVNNWKWHLOJLOK-UHFFFAOYSA-N
SMILES: ClCCCCC(Cl)=O
CAS Datenbank: 1575 · 1575-61-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H290 (72.9%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 155 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11585

Hazard Classes and CategoriesMet. Corr. 1 (72.9%)

Sicherheitsdaten

F: 10-19-21
wgk: 1
ridadr: UN 3265 8/PG 2
hs_code: 29159000
RTECS-Nr.: YV9108000
risk_code: 22-34-23-23/34
hazard_code: C,T
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Chlorovaleroyl chloride (5-CVC) has been used in the development and validation of a GC-FID method for the analysis of low level impurities present in 5-CVC. It has been used in the synthesis of anion-exchange resins by acylation of polystyrene/divinylbenzene and subsequent amination with trimethylamine. It is commonly used as alkylating agent in the synthesis of pharmaceutical intermediates and other specialty chemicals.