Methyl-3-amino-5,6-dichlorpyrazin-2-carboxylat

Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

HCID 73828CAS 1458-18-0

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Grundinformationen

Standard-SMILES: COC(=O)c1nc(Cl)c(Cl)nc1N
InChIKey: USYMCUGEGUFUBI-UHFFFAOYSA-N
Summenformel: C6H5Cl2N3O2
Durchschnittliche Molmasse: 222,03 g/mol
Monoisotopische Masse: 220,9758818

Namen und Bezeichner

Bevorzugter Name: Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
IUPAC: methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
Lokaler Name: Methyl-3-amino-5,6-dichlorpyrazin-2-carboxylat
Englischer Name: Methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate
Summenformel: C6H5Cl2N3O2
Molmasse: 222.03

Namen und Synonyme

Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate1458-18-0DTXSID8057645Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl esterEINECS 215-947-7DTXCID9031434EC 215-947-7RefChem:815210215-947-7Methyl 3-amino-5,6-dichloro-2-pyrazinecarboxylateMFCD00010431

Weitere Namen anzeigen

SKL299TIMTEC-BB SBB003342METHYL 3-AMINO-5 6-DICHLORO-2-PYRAZINE-&methyl 6-amino-2,3-dichloropyrazine-5-carboxylateMethyl 3-amino-5,6-dichloro-2-pyrazinecarboxylate,98%Methyl 3-aMino-5,6-dichloro-2-pyrazinecarboxylate, 98% 5GR

3-Amino-5,6-dichloro-2-pyrazinecarboxylic Acid Methyl EsterTox21_113824Methyl 3-amino-5,6-dichloropyrazinoateSY101527EN300-116878methyl 3-amino-5,6-dichloro-2-pyrazine-carboxylatmethyl 3-amino-5,6-dichloro-2-pyrazine carboxylate3-Amino-5,6-dichloro-pyrazine-2-carboxylic acid methyl ester

Datenbank-Bezeichner

CAS: 1458-18-0
PubChem CID: 73828
DTXSID: DTXSID8057645
ChEMBL: CHEMBL3184300
UNII: 3M7GFD6DF2
EC Number: 215-947-7
Nikkaji: J298.644B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 78,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 204

Physikochemische Eigenschaften

Schmelzpunkt: 227 · 227-230 °C
Siedepunkt: 357.3 · 357.3±37.0 °C(Predicted)
Dichte: 1.586 · 1.586
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly)
Aggregatzustand: Powder
pka: -2.74 · -2.74±0.10(Predicted)
Farbe: Light brown to red-brown
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)
InChIKey: USYMCUGEGUFUBI-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(Cl)=C(Cl)N=C1N
LogP: 1.9 · 1.9-2.2 at 35℃
CAS Datenbank: 1458 · 1458-18-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (81.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (91.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, 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 6 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

Regulatory Information · 2 Einträge

Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22883

Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (91.8%)；Eye Irrit. 2 (91.8%)；Acute Tox. 4 (81.6%)；STOT SE 3 (91.8%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 10-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22883

Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 3
hs_code: 29339980
risk_code: 36/37/38-20/22-20
hazard_code: Xn,Xi
hazard_note: Harmful
safety_code: 36/37/39-26-22-45
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3