Grundinformationen
- Standard-SMILES
CCCCc1ccc(Br)cc1- InChIKey
BRGVKVZXDWGJBX-UHFFFAOYSA-N- Summenformel
- C10H13Br
- Durchschnittliche Molmasse
- 213,11 g/mol
- Monoisotopische Masse
- 212,02006
Namen und Bezeichner
- Bevorzugter Name
- 1-Bromo-4-butylbenzene
- IUPAC
- 1-bromo-4-butylbenzene
- Englischer Name
- 1-Bromo-4-butylbenzene
- Summenformel
- C10H13Br
- Molmasse
- 213.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
41492-05-1- PubChem CID
- 521059
- DTXSID
DTXSID10334540- EC Number
- 472-210-4、609-932-8
- Nikkaji
- J730.044A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 93
Physikochemische Eigenschaften
- Schmelzpunkt
- -25.5 °C · -25.5°C
- Siedepunkt
- 242 °C · 242°C
- Dichte
- 1.208 g/mL · 1.208 g/mL at 25 °C(lit.)
- Dampfdruck
- 2.2 Pa · 2.2Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.53(lit.)
- Flammpunkt
- 227 °F · 227 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to yellow
- Wichte
- 1.24 · 1.24
- Wasserlöslichkeit
- 450 μg/L · 450μg/L at 20℃
- BRN
- 2080263 · 2080263
- InChI
- 1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
- InChIKey
- BRGVKVZXDWGJBX-UHFFFAOYSA-N
- SMILES
- CCCCc1ccc(Br)cc1
- LogP
- 5.4 at · 5.4 at 25℃
- CAS Datenbank
- 41492 · 41492-05-1(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · 4-Bromo-n-butylbenzene(41492-05-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and Categories
Skin Irrit. 2 (100%);Eye Irrit. 2 (97.7%);STOT SE 3 (97.7%)
Skin Irrit. 2 (100%);Eye Irrit. 2A (66.7%);STOT SE 3 (33.3%);Aquatic Acute 1 (33.3%);Aquatic Chronic 1 (33.3%)
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29039990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36-24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2
Chemie und Industrie
Anwendungen
Verwenden1-Bromo-4-butylbenzene was used in the preparation of:4-(4-butylphenyl)-2-methylbut-3-yn-2-olteraaza- and hexaazacyclophane4-butyltriphenylamine, monomer required for the preparation of poly(4-butyltriphenylamine)
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