CAS 39856-58-1 3-Amino-2-bromopyridine (HCID 642816)

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Grundinformationen

CAS: 39856-58-1
Standard-SMILES: Nc1cccnc1Br
InChIKey: HKDVVTLISGIPFE-UHFFFAOYSA-N
Summenformel: C5H5BrN2
Durchschnittliche Molmasse: 173,01 g/mol
Monoisotopische Masse: 171,96361026

Namen und Bezeichner

Bevorzugter Name: 3-Amino-2-bromopyridine
IUPAC: 2-bromopyridin-3-amine
Englischer Name: 3-Amino-2-bromopyridine
Summenformel: C5H5BrN2
Molmasse: 173.01

Namen und Synonyme

3-Amino-2-bromopyridine39856-58-1DTXSID30349070RefChem:497003DTXCID90300142626-782-92-bromopyridin-3-amine2-Bromo-3-pyridinamine2-bromo-3-aminopyridine3-pyridinamine, 2-bromo-MFCD002340642-BROMO-3-PYRIDINEAMINE

Weitere Namen anzeigen

TIMTEC-BB SBB0055393-Amino-2-bromopyrid2-BROMO-PYRIDINEAMINE2-BROMOPYRIDINE-3-AMINE

3-Amino-2-bromopyridine, 97%EN300-109181CS-D0804RB1053HY-660513-amino-2-bromo-pyridineBCP272772-Bromopyridin-3-ylamine

Datenbank-Bezeichner

CAS: 39856-58-1
PubChem CID: 642816
DTXSID: DTXSID30349070
EC Number: 626-782-9
Nikkaji: J1.145.060A

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: 8
Formalladung: 0
Komplexität: 76,8

Physikochemische Eigenschaften

Schmelzpunkt: 76 · 76-80 °C
Siedepunkt: 292.5 · 292.5±20.0 °C(Predicted)
Dichte: 1.71 · 1.710±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder
pka: 1.72 · 1.72±0.10(Predicted)
Farbe: Beige to dark brown
Wasserlöslichkeit: Slightly soluble in water.
BRN: 109830 · 109830
InChI: 1S/C5H5BrN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
InChIKey: HKDVVTLISGIPFE-UHFFFAOYSA-N
SMILES: Nc1cccnc1Br
CAS Datenbank: 39856 · 39856-58-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (87.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (87.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 22-37/38-41-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36/39-37/39
hazard_class: IRRITANT
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenUsed in a palladium-catalyzed synthesis of indole systems containing fused medium- and large-ring heterocycles. pyrrole derivatives ahs been prepared using 3-Amino-2-bromopyridine. Used in P-C coupling reaction.