4-Bromo-3-fluorobenzonitrile
Grundinformationen
- CAS
133059-44-6- Standard-SMILES
N#Cc1ccc(Br)c(F)c1- InChIKey
QBKXYSXQKRNVRQ-UHFFFAOYSA-N- Summenformel
- C7H3BrFN
- Durchschnittliche Molmasse
- 200,01 g/mol
- Monoisotopische Masse
- 198,94328942
Namen und Bezeichner
- Bevorzugter Name
- 4-Bromo-3-fluorobenzonitrile
- IUPAC
- 4-bromo-3-fluorobenzonitrile
- Englischer Name
- 4-Bromo-3-fluorobenzonitrile
- Summenformel
- C7H3BrFN
- Molmasse
- 200.01
Namen und Synonyme
4-Bromo-3-fluorobenzonitrile133059-44-6DTXSID80569428RefChem:98121DTXCID70520200688-426-93-Fluoro-4-bromobenzonitrileBenzonitrile, 4-bromo-3-fluoro-C7H3BrFNMFCD07782069SCHEMBL1564054-Cyano-2-fluorobromobenzene
Weitere Namen anzeigen
4-bromo-3-fluoronitrile4-Bromo-3-fluorobenzonitrile97%4-Bromo-3-fluorobenzonitrile >
PS-8218EN300-860804-bromo-3-fluorobenzenecarbonitrile4-cyano-2-fluorophenylbromide4-bromo-3-fluoro-BenzonitrileCHEMBL4970806SCHEMBL30376222BBL103423
Datenbank-Bezeichner
- CAS
133059-44-6- PubChem CID
- 15165443
- DTXSID
DTXSID80569428- ChEMBL
CHEMBL4970806- EC Number
- 688-426-9
- Nikkaji
- J2.417.712B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 162
Physikochemische Eigenschaften
- Schmelzpunkt
- 54 · 54-58 C
- Siedepunkt
- 230.1 · 230.1±20.0 °C(Predicted)
- Dichte
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- InChI
- InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
- InChIKey
- QBKXYSXQKRNVRQ-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC=C(Br)C(F)=C1
- CAS Datenbank
- 133059 · 133059-44-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301+H311+H331 (25%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38-36-22
- hazard_code
- T,Xi,Xn
- hazard_note
- Toxic
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden4-Bromo-3-fluorobenzonitrile is a fluorobenzonitrile that is used in the preparation of ethylene. This chemical can also be used in the synthesis of pharmaceuticals and dyes. 4-Bromo-3-fluorobenzonitrile has been shown to have antimutagenicity and DNA repair abilities, which are due to its ability to inhibit carcinogen metabolism by binding to the enzyme cytochrome P450 2E1. 4-Bromo-3-fluorobenzonitrile also prevents cross linking of collagen by reacting with amino groups on lysine residues, which leads to a decrease in cardiac toxicity.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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