4-Chlorbutan-1-ol

4-Chloro-1-butanol

HCID 13569CAS 928-51-8
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Grundinformationen

Standard-SMILES
OCCCCCl
InChIKey
HXHGULXINZUGJX-UHFFFAOYSA-N
Summenformel
C4.H9.Cl.O
Durchschnittliche Molmasse
108,57 g/mol
Monoisotopische Masse
108,03419259

Überblick

4-chlorobutanol is a primary alcohol that is butan-1-ol substituted by a chloro group at position 4. It has a role as a metabolite. It is a primary alcohol and an organochlorine compound. It is functionally related to a butan-1-ol.

Namen und Bezeichner

Bevorzugter Name
4-Chloro-1-butanol
IUPAC
4-chlorobutan-1-ol
Lokaler Name
4-Chlorbutan-1-ol
Englischer Name
4-Chloro-1-butanol
Summenformel
C4H9ClO
Molmasse
108.57

Namen und Synonyme

4-Chloro-1-butanol928-51-84-ChlorobutanolTetramethylene chlorohydrin1-BUTANOL, 4-CHLORO-42EI3I5AY0NSC-10810DTXSID2061301CHEBI:87310RefChem:98294DTXCID8048818213-175-5
Weitere Namen anzeigen
oro-1-butanoL4-Chlorolbutanol4-Choro-1-bytanol4-chloro-1-butano4-CHLOROBUTANOL-14-ChIoro-1-butanoI
4-Chlorobutan-1-ol4-Chloro-1-butane-ol4-chloro-butan-1-ol4-Chlorbutan-1-olMFCD000029674-Chloro-1-butanol (Technical Grade)4-Chlorbutan-1-ol [German]1-chloro-4-butanol

Datenbank-Bezeichner

CAS
928-51-8
PubChem CID
13569
DTXSID
DTXSID2061301
ChEMBL
CHEMBL2260957
ChEBI
CHEBI:87310
UNII
42EI3I5AY0
EC Number
213-175-5
Nikkaji
J35.120B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
3
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Alcohols
SpringerMaterials PropertiesSchoenflies notation
LogP0.85
Density1.088 @ 20°C
Vapor Pressure0.35 [mmHg]
Physical DescriptionClear colorless liquid; Contains <= 12% hydrochloric acid (CAS# 7647-01-0) and <= 3% tetrahydrofuran (CAS# 109-99-9); [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Siedepunkt
84 · 84-85 °C/16 mmHg (lit.)
Dichte
1.088 g/mL · 1.088 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.453(lit.)
Flammpunkt
97 °F · 97 °F
storage temp.
2 · 2-8°C
Löslichkeit
Soluble in methanol, chloroform, and dimethyl sufoxide.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards Summary · 1 Eintrag

Causes muscle contraction or spasticity, ulceration or bleeding from the stomach, and other liver changes in oral lethal-dose studies of mice; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Targets the CNS, liver, and kidney; [Sigma-Aldrich MSDS] See 1-Chloro-2-propanol and 2-Chloro-1-propanol.

Hazard Classes and CategoriesFlam. Liq. 3 (91.7%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

1.6 [mg/m3]

18 [mg/m3]

110 [mg/m3]

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2920 8/PG 2
hs_code
29055910
RTECS-Nr.
EL1325000
risk_code
10-22-36/37/38-20/21/22-34-40

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Butanol, 4-chloro-: ACTIVE

Anwendungen

Verwenden4-Chloro-1-butanol is employed as an internal standard in the analysis of genotoxic impurities in active pharmaceutical ingredients by GC-MS technique.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A primary alcohol that is butan-1-ol substituted by a chloro group at position 4.

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