4-Bromo-1-methyl-1H-pyrazol-5-amine

HCID 600351CAS 105675-85-2

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Grundinformationen

Standard-SMILES: Cn1ncc(Br)c1N
InChIKey: ODFDZOQJRPDQDF-UHFFFAOYSA-N
Summenformel: C4H6BrN3
Durchschnittliche Molmasse: 176,01 g/mol
Monoisotopische Masse: 174,97451

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-1-methyl-1H-pyrazol-5-amine
IUPAC: 4-bromo-1-methylpyrazol-5-amine
Englischer Name: 3-AMINO-4-BROMO-2-METHYLPYRAZOLE
Summenformel: C4H6BrN3
Molmasse: 176.01

Namen und Synonyme

4-Bromo-1-methyl-1H-pyrazol-5-amine105675-85-25-Amino-4-bromo-1-methyl-1H-pyrazoleDTXSID00344911RefChem:519000DTXCID70295986639-398-13-Amino-4-bromo-2-methylpyrazole4-bromo-2-methylpyrazol-3-amineMFCD000681571H-Pyrazol-5-amine, 4-bromo-1-methyl-5-amino-4-bromo-1-methylpyrazole

Weitere Namen anzeigen

BUTTPARK 24\09-524-bromo-2-methyl-3-pyrazolamine1H-Pyrazol-5-amine,4-bromo-1-methyl-4-Bromo-1-methyl-1H-pyrrazole-5-amine

4-bromo-2-methyl-2,3-dihydro-1H-pyrazol-3-imineA1IHU1955553-75-94-bromo-1-methylpyrazole-5-ylamine4-Bromo-2-methyl-2H-pyrazol-3-ylamine1H-Pyrazol-5-amine,4-SCHEMBL13584073-amino-4-bromo-2-methylpyrazol

Datenbank-Bezeichner

CAS: 105675-85-2
PubChem CID: 600351
DTXSID: DTXSID00344911
EC Number: 639-398-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 43,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 87

Physikochemische Eigenschaften

Schmelzpunkt: 104 °C · 104 °C
Siedepunkt: 275 ℃ · 275℃
Dichte: 1.91 · 1.91
Flammpunkt: 120 ℃ · 120℃
storage temp.: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
Löslichkeit: Acetonitrile (Slightly), DMSO (Slightly)
Aggregatzustand: Solid
pka: 2.12 · 2.12±0.10(Predicted)
Farbe: Brown
BRN: 7579192 · 7579192
InChI: InChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3
InChIKey: ODFDZOQJRPDQDF-UHFFFAOYSA-N
SMILES: N1(C)C(N)=C(Br)C=N1
CAS Datenbank: 105675 · 105675-85-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；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, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 6 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.