3-Bromo-4-methyl-5-nitro-1,2-dihydropyridin-2-one

HCID 40151914

Grundinformationen

CAS
1049706-72-0
Standard-SMILES
Cc1c([N+](=O)[O-])c[nH]c(=O)c1Br
InChIKey
JJTIUCLTXGGQCH-UHFFFAOYSA-N
Summenformel
C6H5BrN2O3
Durchschnittliche Molmasse
233,02 g/mol
Monoisotopische Masse
231,94835412

Namen und Bezeichner

Bevorzugter Name
3-Bromo-4-methyl-5-nitro-1,2-dihydropyridin-2-one
IUPAC
3-bromo-4-methyl-5-nitro-1H-pyridin-2-one
Englischer Name
3-Bromo-4-methyl-5-nitropyridin-2-ol
Summenformel
C6H5BrN2O3
Molmasse
233.02

Namen und Synonyme

3-bromo-4-methyl-5-nitro-1,2-dihydropyridin-2-oneRefChem:498695837-845-71049706-72-03-Bromo-4-methyl-5-nitro-2-pyridinone3-bromo-4-methyl-5-nitropyridin-2-ol3-Bromo-4-methyl-5-nitropyridin-2(1H)-one3-bromo-4-methyl-5-nitro-1H-pyridin-2-oneMFCD12828179SCHEMBL1200250SCHEMBL22576221DTXSID20653951
Weitere Namen anzeigen
2(1H)-Pyridinone,3-bromo-4-methyl-5-nitro-
JJTIUCLTXGGQCH-UHFFFAOYSA-NZRB70672MFCD12024451AKOS015842229AKOS0168460993-Bromo-4-methyl-5-nitropyridin-2(1H)AC-25585CS-11425

Datenbank-Bezeichner

CAS
1049706-72-0
PubChem CID
40151914
DTXSID
DTXSID20653951
EC Number
837-845-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,6
Polarare Oberfläche (TPSA)
74,9 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
12

Physikochemische Eigenschaften

Siedepunkt
301.8 · 301.8±42.0 °C(Predicted)
Dichte
1.84 · 1.84±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
6.61 · 6.61±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code
2933399990

Chemie und Industrie

Darstellung · 1 Eintrag

synthetische3-bromo-4-methyl-5-nitropyridin-2-ol synthesis: 4-Methyl-5-nitropyridin-2-ol (104.5 g, 0.68 mol) was suspended in AcOH (1000 mL) and bromine (208 mL, 6 eq) was added dropwise in 1.5 h. The mixture was stirred for 5 min, the poured into icewater (2000 mL) and stirred for 1 h. The resulting suspension was filtered and the residue was washed with water (3*100 mL), dried in vacuo and then stripped with toluene (2*500 mL) and CH3CN (500 mL). This afforded 3-bromo-4-methyl-5-nitropyridin-2-ol as a yellow solid (143.8 g, 91%).

Anbieter43 Anbieter

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]

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