5-Bromopyrazine-2,3-diamine

HCID 2771857

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Grundinformationen

CAS: 89123-58-0
Standard-SMILES: Nc1ncc(Br)nc1N
InChIKey: CPYAUFLEMLTQAA-UHFFFAOYSA-N
Summenformel: C4H5BrN4
Durchschnittliche Molmasse: 189,01 g/mol
Monoisotopische Masse: 187,96976

Namen und Bezeichner

Bevorzugter Name: 5-Bromopyrazine-2,3-diamine
IUPAC: 5-bromopyrazine-2,3-diamine
Englischer Name: 5-Bromo-pyrazine-2,3-diamine
Summenformel: C4H5BrN4
Molmasse: 189.01

Namen und Synonyme

5-bromopyrazine-2,3-diamine89123-58-0DTXSID60378131RefChem:302065DTXCID70329159635-837-62,3-Diamino-5-bromopyrazine5-BROMO-2,3-DIAMINOPYRAZINEMFCD062455755-Bromo-pyrazine-2,3-diamine2,3-Pyrazinediamine, 5-bromo-5-Brom-2,3-pyrazindiamin

Weitere Namen anzeigen

5-Bromo-2,3-pyrazinediaminePyrazine, 2,3-diamino-5-bromo-5-BROMO-PYRAZINE-2,3-DIAMINE ISO 9001：2015 REACH

SCHEMBL165172SCHEMBL29912802CPYAUFLEMLTQAA-UHFFFAOYSA-NALBB-030175SBB0908732,3-Diamino-5-bromopyrazine, 97%AKOS001839472AC-7340

Datenbank-Bezeichner

CAS: 89123-58-0
PubChem CID: 2771857
DTXSID: DTXSID60378131
EC Number: 635-837-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 77,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 98

Physikochemische Eigenschaften

Schmelzpunkt: 212 · 212-216 °C (dec.)
Siedepunkt: 357.1 · 357.1±37.0 °C(Predicted)
Dichte: 1.956 · 1.956±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 2.72 · 2.72±0.10(Predicted)
Farbe: light brown
InChI: 1S/C4H5BrN4/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,6,8)(H2,7,9)
InChIKey: CPYAUFLEMLTQAA-UHFFFAOYSA-N
SMILES: Nc1ncc(Br)nc1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933998090
risk_code: 22-36/37/38-43
hazard_code: Xn
safety_code: 26-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3