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HCID 69375Erstellt: 26. Oktober 2026

m-Phenylendiacetonitril

2,2'-(1,3-phenylene)diacetonitrile · M-XYLYLENE CYANIDE · M-XYLYLENE DICYANIDE · 1,3-Xylylenedicyanide · M-BENZENEDIACETONITRILE · m-Xylylenedicyanide,97% · 1,3 - Benzene dicyanide · m-Xylylene dicyanide,99%

https://huagongshe.com/de/chemical/69375

Molekülstruktur von m-Phenylendiacetonitril

Identifikatoren & physikalische Daten

CAS No.626-22-2
SummenformelC10H8N2
Durchschnittliche Molmasse156,18 g/mol
Monoisotopische Masse156,06874826 g/mol
SMILESN#CCc1cccc(CC#N)c1
InChIKeyGRPFZJNUYXIVSL-UHFFFAOYSA-N
PubChem CID69375
EC No.210-936-3
DTXSIDDTXSID10211645
Lokaler Namem-Phenylendiacetonitril

Chemische & physikalische Eigenschaften

XLogP1,3
Polarare Oberfläche (TPSA)47,6
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome12
Formalladung0
Komplexität203
Schmelzpunkt32-35 °C (lit.)
Siedepunkt170 °C/25 mmHg (lit.)
Dichte1.1566 (rough estimate)
Brechungsindex1.6057 (estimate)
Flammpunkt>230 °F
LagerbedingungenStore at room temperature
Aggregatzustandpowder to lump to clear liquid
FarbeWhite or Colorless to Light yellow
Löslichkeitinsoluble
BRN3240670
InChI1S/C10H8N2/c11-6-4-9-2-1-3-10(8-9)5-7-12/h1-3,8H,4-5H2
InChIKeyGRPFZJNUYXIVSL-UHFFFAOYSA-N
SMILESN#CCc1cccc(CC#N)c1
CAS Datenbank626-22-2(CAS DataBase Reference)
NIST chemische Informationen1,3-Benzenediacetonitrile(626-22-2)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen1,3-Phenylenediacetonitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (11.1%)
Wassergefährdungsklasse (WGK)3
UN-Transportnummer3439
Zollcode29269095
RTECS-Nr.AM1780000
R-Sätze (R)20/21/22-36/37/38
GefahrensymboleXn
Sicherheitshinweise (S)26-37/39-24/25-36
Gefahrenklasse6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
VerpackungsgruppeIII
Lagerklasse11 - Combustible Solids