5-Bromo-4-methylpyridin-3-amine

HCID 7060679

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Grundinformationen

CAS: 850892-12-5
Standard-SMILES: Cc1c(N)cncc1Br
InChIKey: VZPJBIMRSJQEMB-UHFFFAOYSA-N
Summenformel: C6H7BrN2
Durchschnittliche Molmasse: 187,04 g/mol
Monoisotopische Masse: 185,97926

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-4-methylpyridin-3-amine
IUPAC: 5-bromo-4-methylpyridin-3-amine
Englischer Name: 3-AMino-5-broMo-4-Methylpyridine
Summenformel: C6H7BrN2
Molmasse: 187.04

Namen und Synonyme

5-bromo-4-methylpyridin-3-amine850892-12-5DTXSID10427648RefChem:301908DTXCID90378482831-772-4MFCD074399763-AMINO-5-BROMO-4-METHYLPYRIDINE3-Pyridinamine, 5-bromo-4-methyl-5-bromo-4-methyl-pyridin-3-amineF1957-0026SCHEMBL956231

Weitere Namen anzeigen

3-BroMo-4-Methyl-5-aMinopyridine5-BroMo-4-Methyl-3-aMinopyridine5-Bromo-4-methylpyridin-3-ylamine5-Bromo-4-methyl-3-aminopyridine 95+%3-AMino-5-broMo-4-Methylpyridine ISO 9001：2015 REACH

5-BROMO-4-METHYL-PYRIDIN-3-YLAMINE5-Bromo-4-methy-pyridin-3-ylamine5-bromo-4-methyl-3-pyridinamineVZPJBIMRSJQEMB-UHFFFAOYSSCHEMBL295162475-bromo-4-methyl-3-pyridylamineVZPJBIMRSJQEMB-UHFFFAOYSA-NSMSSF-0532966

Datenbank-Bezeichner

CAS: 850892-12-5
PubChem CID: 7060679
DTXSID: DTXSID10427648
EC Number: 831-772-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 97

Physikochemische Eigenschaften

Siedepunkt: 302 · 302.0±37.0 °C(Predicted)
Dichte: 1.593 · 1.593±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: solid
pka: 4.46 · 4.46±0.28(Predicted)
InChI: 1S/C6H7BrN2/c1-4-5(7)2-9-3-6(4)8/h2-3H,8H2,1H3
InChIKey: VZPJBIMRSJQEMB-UHFFFAOYSA-N
SMILES: CC1=C(C=NC=C1Br)N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.