-
Name
5,5-dihydroxyperhydropyrimidinetrione
- EINECS 221-796-8
- CAS No. 3237-50-1
- Article Data10
- CAS DataBase
- Density 1.99g/cm3
- Solubility
- Melting Point 172 °C
- Formula C4H4 N2 O5
- Boiling Point °Cat760mmHg
- Molecular Weight 160.086
- Flash Point °C
- Transport Information
- Appearance
- Safety A poison by intraperitoneal and intraperitoneal routes. Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols Moderately toxic by ingestion.
- Synonyms Barbituricacid, 5,5-dihydroxy- (8CI);Alloxan hydrate;Alloxan monohydrate;Alloxanemonohydrate;NSC 221304;
- PSA 115.73000
- LogP -2.30910
5,5-Dihydroxybarbituric acid Chemical Properties
Product Name: 5,5-Dihydroxybarbituric acid (CAS NO.3237-50-1)
Molecular Formula: C4H4N2O5
Molecular Weight: 160.08496g/mol
Mol File: 3237-50-1.mol
Einecs: 221-796-8
Appearance: White granular solid
Density: 1.99 g/cm3
Water Solubility: Soluble in water
Surface Tension: 114.1 dyne/cm
XLogP3-AA: -2.5
H-Bond Donor: 4
H-Bond Acceptor: 5
IUPAC Name: 5,5-dihydroxy-1,3-diazinane-2,4,6-trione
Canonical SMILES: C1(=O)C(C(=O)NC(=O)N1)(O)O
InChI: InChI=1S/C4H4N2O5/c7-1-4(10,11)2(8)6-3(9)5-1/h10-11H,(H2,5,6,7,8,9)
InChIKey: ZIIHZVKHFWOENY-UHFFFAOYSA-N
5,5-Dihydroxybarbituric acid Toxicity Data With Reference
| 1. | sce-ham-ovr 2490 mg/L | EMMUEG Environmental and Molecular Mutagenesis. 13 (1989),60. | ||
| 2. | ivn-rat TDLo:40 mg/kg (female 1W pre):REP | TOLED5 Toxicology Letters. 62 (1992),263. | ||
| 3. | orl-rat LD :>500 mg/kg | NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),21. | ||
| 4. | ivn-ckn LDLo:400 mg/kg | IVEJAC Indian Veterinary Journal. 67 (1990),805. | ||
| 5. | ivn-rat TDLo:42 mg/kg | BCPCA6 Biochemical Pharmacology. 62 (2001),357. | ||
| 6. | ipr-rat TDLo:150 mg/kg | BIPBU* Biological & pharmaceutical bulletin. 25 (2002),526. |
5,5-Dihydroxybarbituric acid Safety Profile
A poison by intraperitoneal and intraperitoneal routes. Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
5,5-Dihydroxybarbituric acid Specification
5,5-Dihydroxybarbituric acid ,its CAS NO. is 3237-50-1,the synonyms is 2,4,5,6(1H,3H)-Pyrimidinetetrone hydrate ; 2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate ; 5,5-Dihydroxy-2,4,6(1H,3H,5H)-pyrimidinetrione ; 5-24-09-00382 (Beilstein Handbook Reference) ; Alloxan hydrate ; Alloxan monohydrate ; BRN 0155548 ; CCRIS 5957 ; EINECS 221-796-8 ; NSC 221304 ; Barbituric acid, 5,5-dihydroxy- .
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