Grundinformationen
- Standard-SMILES
Nc1[nH]c(=O)ncc1Br- InChIKey
QFVKLKDEXOWFSL-UHFFFAOYSA-N- Summenformel
- C4H4BrN3O
- Durchschnittliche Molmasse
- 190 g/mol
- Monoisotopische Masse
- 188,95377385
Namen und Bezeichner
- Bevorzugter Name
- 5-Bromocytosine
- IUPAC
- 6-amino-5-bromo-1H-pyrimidin-2-one
- Lokaler Name
- 5-Bromcytosin
- Englischer Name
- 6-Amino-5-bromopyrimidin-2(1H)-one
- Summenformel
- C4H4BrN3O
- Molmasse
- 190
Namen und Synonyme
5-Bromocytosine2240-25-72(1H)-Pyrimidinone, 4-amino-5-bromo-2737MSZ714DTXSID60176932RefChem:102199DTXCID2099423218-806-84-Amino-5-bromopyrimidin-2(1H)-one6-Amino-5-bromo-1H-pyrimidin-2-one6-AMINO-5-BROMOPYRIMIDIN-2(1H)-ONE4-Amino-5-bromo-2-hydroxypyrimidine
Weitere Namen anzeigen
5-Bromocytosine,99%5-BROMOCYTOSINE 99%5-Bromocytosine ,97%5-BROMOCYTOSINE CRYSTALLINE5-Bromocytosine, 10 mM in DMSO4-amino-5-bromo-2(1h)-pyrimidinon
4-Amino-5-bromo-2-pyrimidinolMFCD000560254-aMino-5-broMo-1,2-dihydropyriMidin-2-onetimtec-bb sbb0002806-AMINO-5-BROMO-1,2-DIHYDROPYRIMIDIN-2-ONECytosine, 5-bromo-4-amino-5-bromo-pyrimidin-2-olUNII-2737MSZ714
Datenbank-Bezeichner
- CAS
2240-25-7- PubChem CID
- 75233
- DTXSID
DTXSID60176932- ChEMBL
CHEMBL184965- UNII
- 2737MSZ714
- EC Number
- 218-806-8
- Nikkaji
- J209.448G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 67,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 208
Physikochemische Eigenschaften
- Schmelzpunkt
- 240 · 240-243 °C (dec.) (lit.)
- Dichte
- 1.7513 · 1.7513 (rough estimate)
- Brechungsindex
- 1.652 · 1.6520 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in formic acid (50 mg/ml).
- Aggregatzustand
- Solid
- pka
- 7.34 · 7.34±0.10(Predicted)
- Farbe
- White to yellow
- BRN
- 127286 · 127286
- InChI
- InChI=1S/C4H4BrN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
- InChIKey
- QFVKLKDEXOWFSL-UHFFFAOYSA-N
- SMILES
- C1(=O)NC(N)=C(Br)C=N1
- NIST chemische Informationen
- 5 · 5-Bromocytosine(2240-25-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- hs_code
- 29335990
- risk_code
- 22-37/38-41-43-48-20/21/22
- hazard_code
- Xn
- safety_code
- 24/25-22-36/37/39-26-45-7/8
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden4-Amino-5-bromo-2-hydroxypyrimidine can be used in the synthesis of cross-link products under anaerobic and aerobic conditions.
Vor- und nachgelagerte Produkte
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