4-Brombenzonitril

Benzonitrile, 4-bromo-

HCID 12162CAS 623-00-7

Grundinformationen

Standard-SMILES
N#Cc1ccc(Br)cc1
InChIKey
HQSCPPCMBMFJJN-UHFFFAOYSA-N
Summenformel
C7H4BrN
Durchschnittliche Molmasse
182,02 g/mol
Monoisotopische Masse
180,95271123

Namen und Bezeichner

Bevorzugter Name
Benzonitrile, 4-bromo-
IUPAC
4-bromobenzonitrile
Lokaler Name
4-Brombenzonitril
Englischer Name
4-Bromobenzonitrile
Summenformel
C7H4BrN
Molmasse
182.02

Namen und Synonyme

4-BROMOBENZONITRILE623-00-7Benzonitrile, 4-bromo-p-BromobenzonitrileBenzonitrile, p-bromo-1-Bromo-4-cyanobenzeneAI3-00488NSC 3978EINECS 210-764-9DTXSID60211352RefChem:566238Benzonitrile, p-bromo-(8CI)
Weitere Namen anzeigen
4-bromobenzoic acid nitrilePBBNOf broMoxynil4-Brombenzonitril4-bromo-benzonitrilp-CyanobromobenzeneBROMOBENZONITRILE-4
DTXCID60133843210-764-9InChI=1/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-44-BromocyanobenzeneMFCD000018114-CYANOBROMOBENZENE4-bromo-benzonitrile4-cyano-bromobenzene

Datenbank-Bezeichner

CAS
623-00-7
PubChem CID
12162
DTXSID
DTXSID60211352
ChEMBL
CHEMBL3248210
UNII
32L8XG37J4
EC Number
210-764-9
Nikkaji
J42.017D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
23,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.42

Physikochemische Eigenschaften

Schmelzpunkt
110 · 110-115 °C(lit.)
Siedepunkt
235 · 235-237 °C(lit.)
Dichte
1 · 1,562 g/cm3
Brechungsindex
1.5999 · 1.5999 (estimate)
Flammpunkt
130 °C · 130°C
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (91.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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 57 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25590

4-Bromobenzonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (91.2%)

Sicherheitsdaten

wgk
2
ridadr
UN 3439 6.1/PG 3
hs_code
29269095
RTECS-Nr.
DI2460000
risk_code
22-36/37/38-20/21/22
hazard_code
Xn,T,Xi

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Bromobenzonitrile is used as reagents and solvents. Reaction of 2-propanol, 4-bromobenzonitrile, and NaH in the presence of 1.5 mol % Pd2(dba)3 and 3 mol % (S)-(-)2,2-bis(di-p-tolylphosphino)- 1,1-binaphthyl at 50°C afforded 4-isopropoxy- benzonitrile in 80% isolated yield. The synthesis of 4-cyanobiphenyl at room temperature in a flow injection microreactor, using a supported catalyst, without the addition of a base gave a product yield of 67±7% (n=6). This was achieved by injecting 4-bromobenzonitrile. The 3-arylation of 2,5-dimethylthiophene with 4-bromopropiophenone, 4-trifluoromethylbromobenzene or 4-bromobenzonitrile gave 3-5 in only 38-50% yields in Palladium-catalysed direct 3-or 4-arylation of thiophene derivatives using aryl bromides.

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东兴润达化工有限公司0534-18615348689 18615348689

Zugehörige Reaktionen

315

Verknüpfte Notizen

Wird geladen…