2,6-Difluoro-3-nitrobenzonitrile

HCID 2737030CAS 143879-77-0

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Grundinformationen

Standard-SMILES: N#Cc1c(F)ccc([N+](=O)[O-])c1F
InChIKey: JQHDRFKDZHGEBQ-UHFFFAOYSA-N
Summenformel: C7H2F2N2O2
Durchschnittliche Molmasse: 184,1 g/mol
Monoisotopische Masse: 184,00843374

Namen und Bezeichner

Bevorzugter Name: 2,6-Difluoro-3-nitrobenzonitrile
IUPAC: 2,6-difluoro-3-nitrobenzonitrile
Englischer Name: 2,6-Difluoro-3-nitrobenzonitrile
Summenformel: C7H2F2N2O2
Molmasse: 184.1

Namen und Synonyme

2,6-Difluoro-3-nitrobenzonitrile143879-77-0DTXSID80371785RefChem:248359DTXCID80322818642-648-2Benzonitrile, 2,6-difluoro-3-nitro-2,4-difluoro-3-cyanonitrobenzeneMFCD000422542,6-difluoro-3-nitrobenzenecarbonitrile2,6-difluoro-3-nitro-benzonitrileSCHEMBL1361699

Weitere Namen anzeigen

BUTTPARK 87\01-763-Cyano-2,4-difluoronitrobenzene2,6-Difluoro-3-nitrobenzonitrile98%2,6-Difluoro-3-nitrobenzonitrile 98%3-Methyl-,5-dioxa-1,1,6,6-hexantetracarbonsaeure

JQHDRFKDZHGEBQ-UHFFFAOYSA-NSBB055292STL183291AKOS000266569AB01912AC-4067CS-W002207FD70440

Datenbank-Bezeichner

CAS: 143879-77-0
PubChem CID: 2737030
DTXSID: DTXSID80371785
EC Number: 642-648-2
Nikkaji: J2.166.871K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 69,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 257

Physikochemische Eigenschaften

Schmelzpunkt: 50 °C · 50 °C
Siedepunkt: 176 °C · 176 °C
Dichte: 1.407 · 1.407
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
BRN: 5431828 · 5431828
CAS Datenbank: 143879 · 143879-77-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301+H311+H331 (33.3%): 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, P302+P352, P304+P340, P305+P351+P338, P316, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

ridadr: 3439
hs_code: 2926907090
risk_code: 20/21/22-36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-Difluoro-3-nitrobenzonitrile is an aliphatic compound that inhibits the activity of monoamines by binding to the endogenously produced 2,6-difluoro-3-nitrobenzonitrile (DNFB). DNFB is a nitrosamine that has been shown to be a potent inhibitor of muscle contraction. This inhibition occurs at high concentrations and has been found in muscle cells. It has also been shown to inhibit the production of nitric oxide from monoxide or homologous nitrates, which may lead to atherosclerosis. 2,6-Difluoro-3-nitrobenzonitrile is also an amine and exhibits structural similarities with other members of this family.