3,5-Dichloro-2-cyanopyridine

HCID 2769699CAS 85331-33-5

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Grundinformationen

Standard-SMILES: N#Cc1ncc(Cl)cc1Cl
InChIKey: ATUOLSDAAPMVJJ-UHFFFAOYSA-N
Summenformel: C6H2Cl2N2
Durchschnittliche Molmasse: 173 g/mol
Monoisotopische Masse: 171,95950342

Namen und Bezeichner

Bevorzugter Name: 3,5-Dichloro-2-cyanopyridine
IUPAC: 3,5-dichloropyridine-2-carbonitrile
Englischer Name: 3,5-Dichloro-2-cyanopyridine
Summenformel: C6H2Cl2N2
Molmasse: 173

Namen und Synonyme

85331-33-53,5-Dichloro-2-cyanopyridineDTXSID90377839RefChem:271641DTXCID50328867674-558-43,5-dichloropicolinonitrile2-Cyano-3,5-dichloropyridine3,5-dichloropyridine-2-carbonitrileMFCD037887582-Pyridinecarbonitrile, 3,5-dichloro-3,5-dichloro-2-pyridinecarbonitrile

Weitere Namen anzeigen

3,5-DichloropicolinitrileCyanodichloropyridine 235---3,5-dichboro-2-cyanopyridine3,5-Dichloror-2-cyanopyridine3,5-Dichloro-2-cyanopyridine>

SCHEMBL186605CHEMBL4532928ATUOLSDAAPMVJJ-UHFFFAOYSA-NSBB0555573,5-dichloro-pyridine-2-carbonitrileAKOS005254208AC-9467CS-W003110

Datenbank-Bezeichner

CAS: 85331-33-5
PubChem CID: 2769699
DTXSID: DTXSID90377839
ChEMBL: CHEMBL4532928
EC Number: 674-558-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 101 · 101-103°C
Siedepunkt: 271.9 · 271.9±35.0 °C(Predicted)
Dichte: 1.49 · 1.49±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: -4.61 · -4.61±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
BRN: 4390101 · 4390101
InChI: InChI=1S/C6H2Cl2N2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
InChIKey: ATUOLSDAAPMVJJ-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(Cl)C=C1Cl
CAS Datenbank: 85331 · 85331-33-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (93.9%)

Sicherheitsdaten

wgk: 3
ridadr: 3439
hs_code: 2933399990
risk_code: 20/21/22-36/37/38
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-36/37
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3