4-Brombutylacetat

4-BROMOBUTYL ACETATE · 4-ACETOXY-1-BROMOBUTANE · 4-bromo-1-butanoacetate · 1-ACETOXY-4-BROMOBUTANE · 4-BROMO-N-BUTYL ACETATE · 4-Bromo-1-butyl Acetate · 1-Bromo-4-acetoxybutane · 4-BROMO-1-BUTANOL ACETATE

https://huagongshe.com/de/chemical/78491

Identifikatoren & physikalische Daten

CAS No.	4753-59-7
Summenformel	C6H11BrO2
Durchschnittliche Molmasse	195,05 g/mol
Monoisotopische Masse	193,99424169 g/mol
SMILES	CC(=O)OCCCCBr
InChIKey	UOABIRUEGSGTSA-UHFFFAOYSA-N
PubChem CID	78491
EC No.	225-277-7
DTXSID	DTXSID50884110
Lokaler Name	4-Brombutylacetat

Chemische & physikalische Eigenschaften

XLogP	2
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	5
Schwere Atome	9
Formalladung	0
Komplexität	83,1
SpringerMaterials Properties	Optical coefficient
Siedepunkt	92-93 °C/12 mmHg (lit.)
Dichte	1.348 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.46(lit.)
Flammpunkt	229 °F
Lagerbedingungen	Refrigerator
Löslichkeit	Chloroform, MethanolInsoluble
Aggregatzustand	Oil
Farbe	Clear Colourless
BRN	1749695
InChI	1S/C6H11BrO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
InChIKey	UOABIRUEGSGTSA-UHFFFAOYSA-N
SMILES	CC(=O)OCCCCBr
CAS Datenbank	4753-59-7(CAS DataBase Reference)
NIST chemische Informationen	1-Butanol, 4-bromo-, acetate(4753-59-7)
EPA chemische Informationen	1-Butanol, 4-bromo-, acetate (4753-59-7)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29153900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	37/39-26
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Verwenden

4-Bromobutyl acetate was used in the synthesis of 9-alkylguanine derivative.