Terephthalonitril

1,4-Dicyanobenzene

HCID 12172CAS 623-26-7
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
N#Cc1ccc(C#N)cc1
InChIKey
BHXFKXOIODIUJO-UHFFFAOYSA-N
Summenformel
C8H4N2
Durchschnittliche Molmasse
128,13 g/mol
Monoisotopische Masse
128,03744813

Überblick

occupational marker compound

Namen und Bezeichner

Bevorzugter Name
1,4-Dicyanobenzene
IUPAC
benzene-1,4-dicarbonitrile
Lokaler Name
Terephthalonitril
Englischer Name
1,4-Dicyanobenzene
Summenformel
C8H4N2
Molmasse
128.13

Namen und Synonyme

Terephthalonitrile1,4-Dicyanobenzene623-26-71,4-BENZENEDICARBONITRILE4-Cyanobenzonitrile1,4-Benzodinitrilep-PhthalodinitrileTerephthalodinitrilep-BenzenedinitrileTereftalodinitrilTerephthalic acid dinitrileTereftalonitril
Weitere Namen anzeigen
BENZENE-1,4-DICARBONITRILE1,4-Dycyanobenzenep-Dicyanobenzenep-Pdnp-Dicyanobezene4-DicyanobenzeneP-PHTHALONITRILE
TerephthalodinitrilNitril kyseliny tereftaloveE6ITH5CIS3NSC-78439NSC-144977DTXSID1060768RefChem:416739DTXCID7043299

Datenbank-Bezeichner

CAS
623-26-7
PubChem CID
12172
DTXSID
DTXSID1060768
ChEMBL
CHEMBL3248224
UNII
E6ITH5CIS3
EC Number
210-783-2
Nikkaji
J2.091E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
47,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP0.93
Vapor Pressure0.00569 [mmHg]
Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
221 · 221-225 °C (lit.)
Siedepunkt
227.54 °C · 227.54°C (rough estimate)
Dichte
1.3 g/cm3 · 1.3g/cm3(25℃)
Dampfdichte
4.42 · 4.42
Brechungsindex
1.6231 · 1.6231 (estimate)
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 21-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27971

1,4-Benzenedicarbonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Changes of the liver, thyroid, and kidney observed in 28-day oral study of rats; Oral LD50 (rat) approximately 2,000 mg/kg; [ToxPlanet: JECDB] A mild eye irritant; Causes ptosis, muscle weakness, and acute pulmonary edema in intraperitoneal lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See m-Phthalodinitrile.

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
3439
hs_code
29269095
RTECS-Nr.
CZ1925000
risk_code
36/37/38

Chemie und Industrie

Verwendung und Herstellung

UsesOccupational marker compound. [ChemIDplus]
General Manufacturing Information1,4-Benzenedicarbonitrile: ACTIVE

Anwendungen

Verwenden1,4-dicyanobenzene as a new internal standard in utilizing solid-state infrared intensity methods for the determination of thiocyanate bonding. Used as photosensitizer in [2+2] cycloadditions, nitrile building block.

Vor- und nachgelagerte Produkte

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海协瑞实业发展有限公司021-64695700 · [email protected]
石家庄华锐科技有限公司0311-85106800 · [email protected]

Zugehörige Reaktionen

54
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…