4-Chlorbuttersure

4-Chlorobutanoic acid

HCID 12300CAS 627-00-9

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Grundinformationen

Standard-SMILES: O=C(O)CCCCl
InChIKey: IPLKGJHGWCVSOG-UHFFFAOYSA-N
Summenformel: C4H7ClO2
Durchschnittliche Molmasse: 122,55 g/mol
Monoisotopische Masse: 122,01345714

Namen und Bezeichner

Bevorzugter Name: 4-Chlorobutanoic acid
IUPAC: 4-chlorobutanoic acid
Lokaler Name: 4-Chlorbuttersure
Englischer Name: 4-Chlorobutyric acid
Summenformel: C4H7ClO2
Molmasse: 122.55

Namen und Synonyme

4-Chlorobutanoic acid4-CHLOROBUTYRIC ACIDButanoic acid, 4-chloro-Gammachlorobutyric acidNSC 6391Cl(CH2)3COOHEINECS 210-977-7NSC 76578.gamma.-Chloro-n-butyric acidDTXSID8060828RefChem:98564gamma-Chloro-n-butyric acid

Weitere Namen anzeigen

Levetiracetam-124-ChlorobutyricAciRARECHEM AL BO 01774-chloro-butanoicaci4-clorobutanoic acid

DTXCID9043485210-977-7InChI=1/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7IPLKGJHGWCVSOG-UHFFFAOYSA-N627-00-9Butyric acid, 4-chloro-gamma-Chlorobutyric acid4-chlorobutanoicacid

Datenbank-Bezeichner

CAS: 627-00-9
PubChem CID: 12300
DTXSID: DTXSID8060828
UNII: FW74RY75G3
EC Number: 210-977-7
Nikkaji: J511H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 7
Formalladung: 0
Komplexität: 62,7

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Schmelzpunkt: 12 · 12-16 °C(lit.)
Siedepunkt: 196 °C22 · 196 °C22 mm Hg(lit.)
Dichte: 1.24 g/mL · 1.24 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.451(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Ether
Aggregatzustand: clear liquid
pka: 4.52 · 4.52(at RT℃)
Farbe: Colorless to Almost colorless
BRN: 1700264 · 1700264
InChI: InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKey: IPLKGJHGWCVSOG-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCl
CAS Datenbank: 627 · 627-00-9(CAS DataBase Reference)
EPA chemische Informationen: 4 · 4-Chlorobutyric acid (627-00-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (97.6%): 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 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 22-34
hazard_code: C
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

Verwendung und Herstellung

General Manufacturing InformationButanoic acid, 4-chloro-: ACTIVE

Anwendungen

Verwenden4-Chlorobutanoic Acid is an impurity of Levetiracetam(L331500) which is (S)-enantiomer of Etiracetam (E932970) and the ethyl analog of Piracetam (P500800). Used as an anticonvulsant. Neuroprotective & Neuroresearch Product.