Pyridin-2,4-dicarbonitril

2,4-Pyridinedicarbonitrile

HCID 120144CAS 29181-50-8

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Grundinformationen

Standard-SMILES: N#Cc1ccnc(C#N)c1
InChIKey: HLAGQMFURMNTLW-UHFFFAOYSA-N
Summenformel: C7H3N3
Durchschnittliche Molmasse: 129,12 g/mol
Monoisotopische Masse: 129,03269711

Namen und Bezeichner

Bevorzugter Name: 2,4-Pyridinedicarbonitrile
IUPAC: pyridine-2,4-dicarbonitrile
Lokaler Name: Pyridin-2,4-dicarbonitril
Englischer Name: Pyridine-2,4-dicarbonitrile
Summenformel: C7H3N3
Molmasse: 129.12

Namen und Synonyme

Pyridine-2,4-dicarbonitrile2,4-Pyridinedicarbonitrile2,4-DicyanopyridineHJ2X384UBJEINECS 249-492-0UNII-HJ2X384UBJDTXSID8067448RefChem:82644DTXCID5037949HLAGQMFURMNTLW-UHFFFAOYSA-N29181-50-8MFCD00014627

Weitere Namen anzeigen

Pyridin-2,4-dicarbonitril2,4-Pyridinedicarbonitrile 97%2,4-Pyridinedicarbonitrile ,97%5-(methylsulfonylmethyl)-2-oxolanone2,4-Pyridinedicarbonitrile(6CI,7CI,8CI,9CI)PYRIDINE-2,4-DICARBONITRILE ISO 9001：2015 REACH

Topiroxostat Impurity 27SCHEMBL995799SCHEMBL7170537SCHEMBL295981482,4-Pyridinedicarbonitrile, 97%SBB055735AKOS015892293AS-58697

Datenbank-Bezeichner

CAS: 29181-50-8
PubChem CID: 120144
DTXSID: DTXSID8067448
UNII: HJ2X384UBJ
EC Number: 249-492-0
Nikkaji: J250.789G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 60,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 203

Physikochemische Eigenschaften

Schmelzpunkt: 89 · 89-93 °C (lit.)
Siedepunkt: 261.8 · 261.8±20.0 °C(Predicted)
Dichte: 1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: -3.67 · -3.67±0.10(Predicted)
Aggregatzustand: solid
BRN: 115936 · 115936
InChI: InChI=1S/C7H3N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H
InChIKey: HLAGQMFURMNTLW-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=CC(C#N)=C1
CAS Datenbank: 29181 · 29181-50-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,4-Dicyanopyridine(29181-50-8)
EPA chemische Informationen: 2 · 2,4-Pyridinedicarbonitrile (29181-50-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (90.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (90.7%)；Eye Dam. 1 (90.7%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 3276
hs_code: 29333990
risk_code: 22-37/38-41-43
hazard_code: Xn
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3