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CAS No.: | 22631-59-0 |
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Name: | 3,5-DICHLORO-4-METHOXYBENZENECARBOHYDRAZIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H8Cl2N2O2 |
Molecular Weight: | 235.07 |
Synonyms: | 1,3-Dichloro-2-methoxybenzene-5-carbohydrazide; |
Density: | 1.425 g/cm3 |
Melting Point: | 211-213 oC |
Hazard Symbols: | Xi |
PSA: | 64.35000 |
LogP: | 2.69670 |
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The Benzoic acid,3,5-dichloro-4-methoxy-, hydrazide, with the CAS registry number of 22631-59-0, is also known as 1,3-Dichloro-2-methoxybenzene-5-carbohydrazide. This chemical's molecular formula is C8H8Cl2N2O2 and molecular weight is 235.07. What's more, its IUPAC name is 3,5-Dichloro-4-methoxybenzohydrazide. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties about the Benzoic acid,3,5-dichloro-4-methoxy-, hydrazide are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.47; (6)ACD/BCF (pH 7.4): 20.52; (7)ACD/KOC (pH 5.5): 301.81; (8)ACD/KOC (pH 7.4): 302.56; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 55.24 cm3; (15)Molar Volume: 164.8 cm3; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.425 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(cc(Cl)c1OC)C(=O)NN
(2) InChI: InChI=1/C8H8Cl2N2O2/c1-14-7-5(9)2-4(3-6(7)10)8(13)12-11/h2-3H,11H2,1H3,(H,12,13)
(3) InChIKey: AILWISDLOFOZHA-UHFFFAOYAV
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | > 1gm/kg (1000mg/kg) | Chimica Therapeutica. Vol. 4, Pg. 157, 1969. |