4-Brombutylphenylether

(4-Bromobutoxy)benzene

HCID 70986CAS 1200-03-9

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Grundinformationen

Standard-SMILES: BrCCCCOc1ccccc1
InChIKey: QBLISOIWPZSVIK-UHFFFAOYSA-N
Summenformel: C10H13BrO
Durchschnittliche Molmasse: 229,11 g/mol
Monoisotopische Masse: 228,01497714

Namen und Bezeichner

Bevorzugter Name: (4-Bromobutoxy)benzene
IUPAC: 4-bromobutoxybenzene
Lokaler Name: 4-Brombutylphenylether
Englischer Name: 4-Phenoxybutyl bromide
Summenformel: C10H13BrO
Molmasse: 229.11

Namen und Synonyme

(4-Bromobutoxy)benzene1200-03-94-Phenoxybutyl bromide4-Bromobutyl phenyl ether4-bromobutoxybenzeneBenzene, (4-bromobutoxy)-1-Bromo-4-phenoxybutanePhenoxybutyl bromideY5HC635AAUEINECS 214-849-1NSC-17155Ether, 4-bromobutyl phenyl

Weitere Namen anzeigen

1-Bromo-4(4-Bromobutoxy)4-Phenoxyethylbromide-Phenoxy-4-bromobutane4-Bromo-1-phenoxybutane

DTXSID90152648NSC 17155RefChem:69464DTXCID7075139QBLISOIWPZSVIK-UHFFFAOYSA-NMFCD000002621-Brom-4-phenoxybutan4-phenoxy-1-bromobutane

Datenbank-Bezeichner

CAS: 1200-03-9
PubChem CID: 70986
DTXSID: DTXSID90152648
UNII: Y5HC635AAU
EC Number: 214-849-1
Nikkaji: J217.042F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 5
Schwere Atome: 12
Formalladung: 0
Komplexität: 100

Physikochemische Eigenschaften

Schmelzpunkt: 41 · 41-43 °C(lit.)
Siedepunkt: 153 · 153-156 °C18 mm Hg(lit.)
Dichte: 1.3236 · 1.3236 (rough estimate)
Brechungsindex: 1.531 · 1.5310 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to lump
Farbe: White to Almost white
Wasserlöslichkeit: Insoluble in water.
BRN: 2044374 · 2044374
InChI: InChI=1S/C10H13BrO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey: QBLISOIWPZSVIK-UHFFFAOYSA-N
SMILES: C1(OCCCCBr)=CC=CC=C1
CAS Datenbank: 1200 · 1200-03-9(CAS DataBase Reference)
NIST chemische Informationen: Benzene, (4-bromobutoxy)-(1200-03-9)
EPA chemische Informationen: Benzene, (4-bromobutoxy)- (1200-03-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Benzene, (4-bromobutoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (4-bromobutoxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)