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55294-15-0

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Basic Information
CAS No.: 55294-15-0
Name: Muzolimine
Molecular Structure:
Molecular Structure of 55294-15-0 (Muzolimine)
Formula: C11H11 Cl2 N3 O
Molecular Weight: 272.134
Synonyms: BAY-g 2821;Edrul; Muzolimine
Density: 1.51g/cm3
Melting Point: 127-129°
Boiling Point: 401.4°C at 760 mmHg
Flash Point: 196.6°C
Safety: Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.
PSA: 56.19000
LogP: 3.13500
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Chemistry

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

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.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl− and NOx.

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] .