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CAS No.: | 14885-29-1 |
---|---|
Name: | Ipronidazole |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H11 N3 O2 |
Molecular Weight: | 169.183 |
Synonyms: | Imidazole,2-isopropyl-1-methyl-5-nitro- (8CI);1-Methyl-2-(1-methylethyl)-5-nitro-1H-imidazole; 1-Methyl-2-isopropyl-5-nitroimidazole;2-Isopropyl-1-methyl-5-nitroimidazole; Ipronidazole; Ipropran; NSC 109212; Ro07-1554 |
Density: | 1.25g/cm3 |
Melting Point: | 60° |
Boiling Point: | 309.3°Cat760mmHg |
Flash Point: | 140.9°C |
Solubility: | 9.4g/L(20 oC) |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. |
PSA: | 63.64000 |
LogP: | 1.97490 |
Molecular Structure of Ipropran (CAS NO. 14885-29-1):
EINECS: 238-957-3
IUPAC Name: 1-Methyl-5-nitro-2-propan-2-ylimidazole
Molecular Formula: C7H11N3O2
Molecular Weight: 169.181140 g/mol
XLogP3: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: CC(C)C1=NC=C(N1C)[N+](=O)[O-]
InChI: InChI=1S/C7H11N3O2/c1-5(2)7-8-4-6(9(7)3)10(11)12/h4-5H,1-3H3
InChIKey: NTAFJUSDNOSFFY-UHFFFAOYSA-N
Index of Refraction: 1.571
Molar Refractivity: 44.36 cm3
Molar Volume: 134.9 cm3
Surface Tension: 43.5 dyne/cm
Density: 1.25 g/cm3
Flash Point: 140.9 °C
Enthalpy of Vaporization: 52.81 kJ/mol
Boiling Point: 309.3 °C at 760 mmHg
Vapour Pressure: 0.00118 mmHg at 25 °C
Water Solubility: 1.153e+005 mg/L at 25 °C
BRN of Ipropran (CAS NO. 14885-29-1): 0744577
1. | mmo-sat 1 µmol/L | TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. 3 (1983),429. | ||
2. | mmo-esc 50 µmol/L | MUREAV Mutation Research. 48 (1977),155. | ||
3. | mmo-klp 20 µmol/L/20H | MUREAV Mutation Research. 66 (1979),207. | ||
4. | mmo-omi 20 µmol/L | MUREAV Mutation Research. 48 (1977),155. | ||
5. | mmo-smc 5 ppm | MUREAV Mutation Research. 86 (1981),243. | ||
6. | orl-trk LD50:640 mg/kg | POSCAL Poultry Science. 49 (1970),92. |
Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Ipropran with cas registry number of 14885-29-1 is also known as 1-Methyl-2-(1-methylethyl)-5-nitro-1H-imidazole ; 1H-Imidazole, 2-isopropyl-1-methyl-5-nitro- ; 1H-Imidazole, 1-methyl-2-(1-methylethyl)-5-nitro- ; 2-Isopropyl-1-methyl-5-nitroimidazole ; 5-23-05-00207 (Beilstein Handbook Reference) ; Ipronidazole ; Ipronidazole [USAN:INN:BAN] ; Ipronidazol ; Ipronidazol [INN-Spanish] ; Ipronidazolo ; Ipronidazolo [DCIT] ; Ipronidazolum ; Ipronidazolum [INN-Latin] ; Ipropran ; Imidazole, 2-isopropyl-1-methyl-5-nitro- (8CI) ; M+B 16905 ; NSC 109212 ; Ro 07-1554 ; Ro 7-1554 ; UNII-045BU63E23 .