3,4,5,6-Tetrachlorbenzol-1,2-dicarbonitril

1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-

HCID 16057CAS 1953-99-7

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Grundinformationen

Standard-SMILES: N#Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1C#N
InChIKey: OQHXZZGZASQSOB-UHFFFAOYSA-N
Summenformel: C8Cl4N2
Durchschnittliche Molmasse: 265,9 g/mol
Monoisotopische Masse: 263,88155872

Namen und Bezeichner

Bevorzugter Name: 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-
IUPAC: 3,4,5,6-tetrachlorobenzene-1,2-dicarbonitrile
Lokaler Name: 3,4,5,6-Tetrachlorbenzol-1,2-dicarbonitril
Englischer Name: 3,4,5,6-Tetrachlorophthalonitrile
Summenformel: C8Cl4N2
Molmasse: 265.91

Namen und Synonyme

Tetrachlorophthalonitrile1953-99-73,4,5,6-Tetrachlorobenzene-1,2-dicarbonitrile3,4,5,6-Tetrachlorophthalonitrileo-TCPNo-Tetrachlorophthalodinitrileo-PHTHALODINITRILE, TETRACHLORO-3,4,5,6-Tetrachloro-1,2-benzenedicarbonitrile1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-GG84DM2R55EINECS 217-783-1BRN 1882303

Weitere Namen anzeigen

Z-CHLOROTHALONILPerchlorophthalonitrile6-TetrachlorophthalonitrileTetrachloro-o-phthalonitrile

DTXSID20173189RefChem:411088DTXCID90956801,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-(9CI)Phthalonitrile, tetrachloro-Benzenedicarbonitrile, tetrachloro-MFCD00019740Tetrachlorophthalodinitrile

Datenbank-Bezeichner

CAS: 1953-99-7
PubChem CID: 16057
DTXSID: DTXSID20173189
UNII: GG84DM2R55
EC Number: 217-783-1
Nikkaji: J35.440F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 47,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 282

Physikochemische Eigenschaften

Schmelzpunkt: 249 · 249-252 °C (dec.)(lit.)
Siedepunkt: 350 °C · 350°C (rough estimate)
Dichte: 1.7395 · 1.7395 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Almost white
CAS Datenbank: 1953 · 1953-99-7(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-(1953-99-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1,2-Benzenedicarbonitrile, 3,4,5,6-tetrachloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3077 9/PG III
hs_code: 2926.90.4801
RTECS-Nr.: TI8225000
risk_code: 20/21/22
Toxizität: mouse,LD50,intraperitoneal,66mg/kg (66mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Industrial Health. Vol. 4, Pg. 11, 1966.
hazard_code: Xn
safety_code: 36
hazard_class: 9
packing_group: III

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3,4,5,6-Tetrachlorophthalonitrile can be used as a reagent in chemical reactions or as an intermediate in organic synthesis. 3,4,5,6-Tetrachlorophthalonitrile and 3,4,5,6-Tetrachlorophthalonitrile can be used as substrates with various phenoxy compounds in nucleophilic aromatic substitution reactions to prepare 3,4,6-trihalo-5-p-substituted phenoxyphthalonitrile containing four substituents other than hydrogen[1].