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36364-49-5

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Basic Information
CAS No.: 36364-49-5
Name: Imidazole
Article Data: 2
Molecular Structure:
Molecular Structure of 36364-49-5 (Imidazole)
Formula: C10H10N2O3
Molecular Weight: 206.201
Synonyms: Imidazole salicylate;Imidazol-2-hydroxybenzoat [German];Imidazole 2-hydroxybenzoate;ITF 182;BENZOIC ACID, 2-HYDROXY-, compd. with 1H-IMIDAZOLE (1:1);Imidazole salicylate [INN];Selezen;Salicilato de imidazol [Spanish];ITF-182;2-Hydroxybenzoic acid compd. with 1H-imidazole (1:1);Salicylate dimidazole [French];Imidazol salicilato [Spanish];Salizolo;Salicylic acid, compd. with imidazole;Imidazole compd. with salicylic acid;Imidazolsalicylat [German];Salicylic acid, compound with imidazole (1:1);2-hydroxybenzoic acid; 1H-imidazole;Benzoic acid,2-hydroxy-,compounds,compd. with 1H-imidazole (1:1);Imidazole-2-hydroxybenzoate;
Melting Point: 123-124°
Boiling Point: 336.3 °C at 760 mmHg
Flash Point: 144.5 °C
PSA: 86.21000
LogP: 1.50010
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Specification

The Imidazoli salicylas [Latin] is an organic compound with the formula C10H10N2O3. The IUPAC name of this chemical is 2-hydroxybenzoic acid; 1H-imidazole. With the CAS registry number 36364-49-5, it is also named as Benzoic acid, 2-hydroxy-, compd. with 1H-imidazole (1:1).

Physical properties about Imidazoli salicylas [Latin] are: (1)ACD/LogP: 2.06; (2)ACD/LogD (pH 5.5): -0.93; (3)ACD/LogD (pH 7.4): -1.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å2; (12)Flash Point: 144.5 °C; (13)Enthalpy of Vaporization: 61.16 kJ/mol; (14)Boiling Point: 336.3 °C at 760 mmHg; (15)Vapour Pressure: 4.45E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1O.n1ccnc1
(2)InChI: InChI=1/C7H6O3.C3H4N2/c8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5)
(3)InChIKey: XCHHJFVNQPPLJK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H6O3.C3H4N2/c8-6-4-2-1-3-5(6)7(9)10;1-2-5-3-4-1/h1-4,8H,(H,9,10);1-3H,(H,4,5)
(5)Std. InChIKey: XCHHJFVNQPPLJK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 435mg/kg (435mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 716, 1983.
mouse LD50 oral 1034mg/kg (1034mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 716, 1983.
mouse LD50 subcutaneous 595mg/kg (595mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 716, 1983.
rat LD50 intravenous 422mg/kg (422mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Medicamentos de Actualidad. Vol. 20, Pg. 305, 1984.
rat LD50 oral 1211mg/kg (1211mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Medicamentos de Actualidad. Vol. 20, Pg. 305, 1984.
rat LD50 subcutaneous 724mg/kg (724mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 716, 1983.