2-Chloropyridine-3,4-diamine

HCID 285736CAS 39217-08-8

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Grundinformationen

Standard-SMILES: Nc1ccnc(Cl)c1N
InChIKey: PWOIYBVEDIFBEO-UHFFFAOYSA-N
Summenformel: C5H6ClN3
Durchschnittliche Molmasse: 143,57 g/mol
Monoisotopische Masse: 143,0250249

Namen und Bezeichner

Bevorzugter Name: 2-Chloropyridine-3,4-diamine
IUPAC: 2-chloropyridine-3,4-diamine
Englischer Name: 2-Chloro-3,4-diaminopyridine
Summenformel: C5H6ClN3
Molmasse: 143.57

Namen und Synonyme

2-chloropyridine-3,4-diamineDTXSID90301412RefChem:470508DTXCID40252546686-011-739217-08-82-CHLORO-3,4-DIAMINOPYRIDINE3,4-Diamino-2-chloropyridine2-Chloro-3,4-pyridinediamineMFCD07363739NSC143160SCHEMBL337291

Weitere Namen anzeigen

NSC 143160oropyridine-3,4-diamine2-Chloro-3,4-pyridinediam...3,4-Pyridinediamine, 2-chloro-(4-amino-2-chloro-3-pyridyl)amine2-chloropyridine-3,4-diaMinehydrochloride

SCHEMBL29738526CS-D07762-CHLOROPYRIDIN-3,4-DIAMINESBB079600SC32213,4-Diamino-2-chloropyridine, 97%AKOS005257926GS-5810

Datenbank-Bezeichner

CAS: 39217-08-8
PubChem CID: 285736
DTXSID: DTXSID90301412
EC Number: 686-011-7
Nikkaji: J1.876.825I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 64,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 98

Physikochemische Eigenschaften

Schmelzpunkt: 158 · 158-163℃
Siedepunkt: 381.3 · 381.3±37.0 °C(Predicted)
Dichte: 1.447 · 1.447±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 4.79 · 4.79±0.42(Predicted)
Farbe: Light yellow to Brown to Dark green
InChI: 1S/C5H6ClN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9)
InChIKey: PWOIYBVEDIFBEO-UHFFFAOYSA-N
SMILES: Nc1ccnc(Cl)c1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H317 (97.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 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. 3 (97.7%)；Skin Sens. 1 (97.7%)；Eye Irrit. 2A (100%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 29333990
risk_code: 36/37/38-43-36-22
hazard_code: Xi,Xn
safety_code: 26-37-36/37-24/25-36/37/39
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1