3,4-Difluorbenzonitril

3,4-Difluorobenzonitrile

HCID 587203

Grundinformationen

CAS
64248-62-0
Standard-SMILES
N#Cc1ccc(F)c(F)c1
InChIKey
BTBFCBQZFMQBNT-UHFFFAOYSA-N
Summenformel
C7H3F2N
Durchschnittliche Molmasse
139,1 g/mol
Monoisotopische Masse
139,02335554

Namen und Bezeichner

Bevorzugter Name
3,4-Difluorobenzonitrile
IUPAC
3,4-difluorobenzonitrile
Lokaler Name
3,4-Difluorbenzonitril
Englischer Name
3,4-Difluorobenzonitrile
Summenformel
C7H3F2N
Molmasse
139.1

Namen und Synonyme

3,4-Difluorobenzonitrile64248-62-0Benzonitrile, 3,4-difluoro-EINECS 264-751-8BTBFCBQZFMQBNT-UHFFFAOYSA-DTXSID00214463RefChem:91066DTXCID00136954264-751-8BTBFCBQZFMQBNT-UHFFFAOYSA-NInChI=1/C7H3F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H4-Cyano-1,2-difluorobenzene
Weitere Namen anzeigen
3,4-fluorobenzonitrile3,4-Difluorobenzonit3, 4-difluoronitrileLABOTEST-BB LT008478163,4-Difluorobenznitriled3,4-difluorobenzylnitrile3,4- twoFluorobenzonitrile
MFCD000116663,4-difluorobenzenecarbonitrile3,4 difluorobenzonitrile3,4-difluoro-benzonitrile4-fluoro-3-fluorobenzonitrileSCHEMBL229147orb3030526SCHEMBL17110588

Datenbank-Bezeichner

CAS
64248-62-0
PubChem CID
587203
DTXSID
DTXSID00214463
EC Number
264-751-8
Nikkaji
J310.085E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
Polarare Oberfläche (TPSA)
23,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
52 · 52-54 °C (lit.)
Siedepunkt
180 °C · 180 °C
Dichte
1.249 · 1.2490 (estimate)
Flammpunkt
157 °F · 157 °F
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
soluble in Methanol

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (92.2%): 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 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (92.2%)

Sicherheitsdaten

wgk
3
ridadr
UN 1325 4.1/PG 2
hs_code
29269090
risk_code
20/21/22-36/37/38
hazard_code
Xn,T,Xi
hazard_note
Toxic

Chemie und Industrie

Darstellung · 1 Eintrag

synthetischeThe preparation of 3,4-Difluorobenzonitrile is as follows:To the dry reactor was added 289.6 kg (1.843 kmoles) of 3,4-difluorobenzamide and 800 kg of dichloroethane solution, 241.2 kg (2.02 kmoles) of dichlorosulfoxide and catalyst DMF I.5 And the reaction was carried out at 50 ° C for 5 hours with stirring. After the reaction was complete, the reaction solution was poured into ice water with stirring and the mixture was separated to obtain a crude product having a qualitative content of 96% of 3,4-difluorobenzonitrile 259.1 kg (1.788 kmoles) in 97% yield. The crude product was distilled to give a qualitative content of 99% of 3,4,8-difluorobenzonitrile 248.6 kg (1.77 kmoles) and a distillation yield of 99%.

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
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]

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