5-Brompyrimidin

5-Bromopyrimidine

HCID 78344CAS 4595-59-9
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Grundinformationen

Standard-SMILES
Brc1cncnc1
InChIKey
GYCPLYCTMDTEPU-UHFFFAOYSA-N
Summenformel
C4H3BrN2
Durchschnittliche Molmasse
158,98 g/mol
Monoisotopische Masse
157,9479602

Überblick

a radiosensitizing agent

Namen und Bezeichner

Bevorzugter Name
5-Bromopyrimidine
IUPAC
5-bromopyrimidine
Lokaler Name
5-Brompyrimidin
Englischer Name
5-Bromopyrimidine
Summenformel
C4H3BrN2
Molmasse
158.98

Namen und Synonyme

5-Bromopyrimidine4595-59-9Pyrimidine, 5-bromo-5Z9X6MAT38DTXSID40635315-BrPy compoundRefChem:102211DTXCID6040458224-992-1MFCD000061175-bromo pyrimidine5-bromo-pyrimidine
Weitere Namen anzeigen
5-bromo-pyrimidin5-pyriMidine5-Brompyrimidin5-Bromo-1,3-diazinePYRIMIDINE, 2-BROMO-5-Bromopyrimidine,98%5-Bromopyrimidine >5-BROMOPYRIMIDINE 0.98
5-bromanylpyrimidineEINECS 224-992-1CHEMBL3423442STR00327HY-W008017PS-3029SY004103EN300-29556

Datenbank-Bezeichner

CAS
4595-59-9
PubChem CID
78344
DTXSID
DTXSID4063531
ChEMBL
CHEMBL3423442
UNII
5Z9X6MAT38
EC Number
224-992-1
Nikkaji
J236.494H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,7
Polarare Oberfläche (TPSA)
25,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

Physical DescriptionDry Powder

Physikochemische Eigenschaften

Schmelzpunkt
67 · 67-73 °C (lit.)
Siedepunkt
168 °C · 168°C(lit.)
Dichte
1.6448 · 1.6448 (rough estimate)
Brechungsindex
1.526 · 1.5260 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Soluble in chloroform.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (57.1%): Causes skin irritation [Warning Skin corrosion/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 91 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Pyrimidine, 5-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyrimidine, 5-bromo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Pyrimidine, 5-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (57.1%)
CSL Reaction Information · 6 Einträge

CSL00135

ACETONE + 5-BROMOPYRIMIDINE + SULFURIC ACID + PERACETIC ACID

Upon drying the powder product was being scraped from a sintered glass funnel to complete the neutralization of the hemiacid salt when an explosion occurred. Subsequent testing determined that the peroxide dimer of acetone was the most likely cause of the explosion. This material is reported to be both shock and friction sensitive and known to sublime at room temperature.

Explosive

ACS Safety Letters

7/8/18

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29335990
risk_code
36/37/38-36/38
hazard_code
Xi
hazard_note
Irritant

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 Einträge

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Pyrimidine, 5-bromo-: ACTIVE

Anwendungen · 2 Einträge

Beschreibung5-Bromopyrimidine is an important structural unit in organic compounds, featuring a bromine functional group on its pyrimidine ring which serves as the active moiety enabling participation in diverse chemical reactions. Through acid-catalysed electrophilic alkylation of aromatic compounds with 5-bromopyrimidine, followed by oxidative rearrangement to form the dihydropyrimidine ring. Subsequent Sonogashira cross-coupling enables the preparation of 4-aryl-5-pyrimidylacetylene derivatives, which possess medicinal value.

Verwenden5-Bromopyrimidine was used in the synthesis of N-heteroaryl substituted 9-arylcarbazolyl derivatives via palladium-catalyzed aerobic and ligand-free Suzuki reaction, (5-(phenylethynyl)pyrimidine) via microwave assisted organic synthesis (MAOS) Sonogashira protocol.

Darstellung

synthetische5-Bromopyrimidine is prepared by reacting dibromodifuranone with formamide in the presence of B2O2 catalyst at 180-185°C to obtain the product.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州凯达生物医药技术有限公司0512-65856968 · [email protected]
山东德信精细化工有限公司18553366272

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