2-Amino-5-bromo-4-chloropyridine

HCID 44181812

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Grundinformationen

CAS: 942947-94-6
Standard-SMILES: Nc1cc(Cl)c(Br)cn1
InChIKey: DDOFUMWLNSICHU-UHFFFAOYSA-N
Summenformel: C5H4BrClN2
Durchschnittliche Molmasse: 207,45 g/mol
Monoisotopische Masse: 205,92464

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-bromo-4-chloropyridine
IUPAC: 5-bromo-4-chloropyridin-2-amine
Englischer Name: 2-Pyridinamine, 5-bromo-4-chloro-
Summenformel: C5H4BrClN2
Molmasse: 207.46

Namen und Synonyme

2-Amino-5-bromo-4-chloroPyridineRefChem:464517807-141-45-bromo-4-chloropyridin-2-amine942947-94-65-BROMO-4-CHLORO-2-AMINOPYRIDINE2-Amino-4-chloro-5-bromopyridineMFCD124072825-BROMO-4-CHLORO-2-PYRIDINAMINE5-Bromo-4-chloro-pyridin-2-ylamine5-Bromo-4-chloro-2-amino pyridineSCHEMBL211570

Weitere Namen anzeigen

2-Hydroxy-3-Methoxybenzoic5-Bromo-4-chloro-2-aminop...5-BroMo-4-chloro-2-aMinopyri

DTXSID60657711EN300-1923132-PYRIDINAMINE, 5-BROMO-4-CHLORO-S5NXK6YT42DDOFUMWLNSICHU-UHFFFAOYSA-NBDBM626074(5-Bromo-4-chloropyridin-2-yl)amineAKOS015889463

Datenbank-Bezeichner

CAS: 942947-94-6
PubChem CID: 44181812
DTXSID: DTXSID60657711
UNII: S5NXK6YT42
EC Number: 807-141-4
Nikkaji: J3.361.456J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 101

Physikochemische Eigenschaften

Siedepunkt: 271.6 · 271.6±35.0 °C(Predicted)
Dichte: 1.834 · 1.834±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.61 · 3.61±0.24(Predicted)
Aggregatzustand: powder
Farbe: Faint beige
InChI: InChI=1S/C5H4BrClN2/c6-3-2-9-5(8)1-4(3)7/h1-2H,(H2,8,9)
InChIKey: DDOFUMWLNSICHU-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)C(Cl)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.