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| Name |
Edrul |
EINECS | N/A |
| CAS No. | 55294-15-0 | Density | 1.51g/cm3 |
| PSA | 56.19000 | LogP | 3.13500 |
| Solubility | N/A | Melting Point |
127-129° |
| Formula | C11H11 Cl2 N3 O | Boiling Point | 401.4°C at 760 mmHg |
| Molecular Weight | 272.134 | Flash Point | 196.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
BAY-g 2821;Edrul; Muzolimine |
Edrul Chemical Properties
Molecule structure of Edrul (CAS NO.55294-15-0) :
IUPAC Name: 5-amino-2-[1-(3,4-dichlorophenyl)ethyl]-4H-pyrazol-3-one
Molecular Weight: 272.13054 g/mol
Molecular Formula: C11H11Cl2N3O
Density: 1.51 g/cm3
Boiling Point: 401.4 °C at 760 mmHg
Flash Point: 196.6 °C
Index of Refraction: 1.666
Molar Refractivity: 66.93 cm3
Molar Volume: 180 cm3
Polarizability: 26.53*10-24 cm3
Surface Tension: 53.2 dyne/cm
Enthalpy of Vaporization: 65.24 kJ/mol
Vapour Pressure: 1.18E-06 mmHg at 25 °C
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 5
Exact Mass: 271.027917
MonoIsotopic Mass: 271.027917
Topological Polar Surface Area: 58.7
Heavy Atom Count: 17
Complexity: 348
Canonical SMILES: CC(C1=CC(=C(C=C1)Cl)Cl)N2C(=O)CC(=N2)N
InChI: InChI=1S/C11H11Cl2N3O/c1-6(16-11(17)5-10(14)15-16)7-2-3-8(12)9(13)4-7/h2-4,6H,5H2,1H3,(H2,14,15)
InChIKey: RLWRMIYXDPXIEX-UHFFFAOYSA-N
EINECS of Edrul (CAS NO.55294-15-0) : 259-573-2
Edrul Toxicity Data With Reference
| 1. | orl-rat LD50:1559 mg/kg | CMROCX Current Medical Research and Opinion. 4 (1977),716. | ||
| 2. | ivn-rat LD50:221 mg/kg | CLNHBI Clinical Nephrology. 19 (Suppl 1)(1983),20. | ||
| 3. | orl-mus LD50:1794 mg/kg | CMROCX Current Medical Research and Opinion. 4 (1977),716. | ||
| 4. | ivn-mus LD50:310 mg/kg | CLNHBI Clinical Nephrology. 19 (Suppl 1)(1983),20. | ||
| 5. | orl-dog LD50:2000 mg/kg | CMROCX Current Medical Research and Opinion. 4 (1977),716. | ||
| 6. | orl-rbt LD50:1250 mg/kg | CMROCX Current Medical Research and Opinion. 4 (1977),716. |
Edrul Safety Profile
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.
Edrul Specification
Edrul (CAS NO.55294-15-0) is also called 3-Amino-1-(3,4-dichloro-alpha-methylbenzyl)-2-pyrazolin-5-one ; 3-Amino-1-(3,4-dichloro-alpha-methylbenzyl)-4,5-dihydro-5-pyrazolon ; 3H-Pyrazol-3-one, 2,4-dihydro-5-amino-2-(1-(3,4-dichlorophenyl)ethyl)- ; 3H-Pyrazol-3-one, 5-amino-2-(1-(3,4-dichlorophenyl)ethyl)-2,4-dihydro- ; 5-Amino-2-(1-(3,4-dichlorophenyl)-ethyl)-2,4-dihydro-3H-pyrazol-3-one ; BRN 0660881 ; Bay g 2821 ; Muzolimina [INN-Spanish] ;
Muzolimine ; Muzoliminum [INN-Latin] .
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