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14885-29-1

Basic Information
CAS No.: 14885-29-1
Name: Ipronidazole
Article Data: 6
Molecular Structure:
Molecular Structure of 14885-29-1 (Ipronidazole)
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
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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

  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 .