4-Brombutan-1-ol

4-Bromobutanol

HCID 118388CAS 33036-62-3

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Grundinformationen

Standard-SMILES: OCCCCBr
InChIKey: SIJLYRDVTMMSIP-UHFFFAOYSA-N
Summenformel: C4H9BrO
Durchschnittliche Molmasse: 153,02 g/mol
Monoisotopische Masse: 151,98367701

Überblick

4-Bromo-1-butanol is a primary alcohol.

Namen und Bezeichner

Bevorzugter Name: 4-Bromobutanol
IUPAC: 4-bromobutan-1-ol
Lokaler Name: 4-Brombutan-1-ol
Englischer Name: 4-Bromo-1-butanol
Summenformel: C4H9BrO
Molmasse: 153.02

Namen und Synonyme

4-Bromo-1-butanol33036-62-34-Bromobutan-1-ol1-Butanol, 4-bromo-4-bromobutanolJR4UC6K34HDTXSID80186699EINECS 251-355-5RefChem:520490DTXCID70109190251-355-51-Bromo-4-Butanol

Weitere Namen anzeigen

EOS-6184080.0%(NMR)4-Bromo-1-butenol4-Bromo-2-butanol4-Bromo-1-butanol44-BROMO-1-BUTANOL-80%

MFCD000153871-bromobutan-4-ol4-bromo butan-1-ol4-bromo-1-hydroxybutaneCS-W000344Tetramethylene bromohydrin4-Bromo-1-butanol (contains varying amounts of Tetrahydrofuran)4-Bromo-1-butanol (contains varying amounts of THF)

Datenbank-Bezeichner

CAS: 33036-62-3
PubChem CID: 118388
DTXSID: DTXSID80186699
ChEBI: CHEBI:144336
UNII: JR4UC6K34H
EC Number: 251-355-5
Nikkaji: J25.050C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 6
Formalladung: 0
Komplexität: 23,5

Physikochemische Eigenschaften

Siedepunkt: 56 · 56-58
Dichte: 1.68 · 1.68
Flammpunkt: 7 °C · 7 °C
Brechungsindex: 1.5035 · 1.5035
storage temp.: -20 °C · -20°C
Löslichkeit: Chloroform (Sparingly), Methanol (Sparingly)
Aggregatzustand: Liquid
pka: 14.98 · 14.98±0.10(Predicted)
Farbe: Yellow
Wasserlöslichkeit: insoluble
BRN: 1839430 · 1839430
InChI: InChI=1S/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2
InChIKey: SIJLYRDVTMMSIP-UHFFFAOYSA-N
SMILES: C(O)CCCBr
CAS Datenbank: 33036 · 33036-62-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Butanol, 4-bromo-(33036-62-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (89.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (89.4%)

Sicherheitsdaten

F: 8-10
wgk: 3
ridadr: UN 1987 3/PG 2
hs_code: 29055998
risk_code: 11-36/37/38-22
hazard_code: F,Xi,Xn
hazard_note: Irritant/Flammable
safety_code: 26-37/39-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Bromo-1-butanol is used to prepare 2-(4-bromo-butoxy)-tetrahydro-pyran by reacting with 3,4-dihydro-2H-pyran in the presence of amberlyst 15 as a catalyst. It reacts with dihydropyran to prepare tetrahydropyranyl ethers.