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Benzoic acid,3,5-dichloro-4-methoxy-, hydrazide

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Name

Benzoic acid,3,5-dichloro-4-methoxy-, hydrazide

EINECS N/A
CAS No. 22631-59-0 Density 1.425 g/cm3
PSA 64.35000 LogP 2.69670
Solubility N/A Melting Point 211-213 oC
Formula C8H8Cl2N2O2 Boiling Point N/A
Molecular Weight 235.07 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 22631-59-0 (3,5-DICHLORO-4-METHOXYBENZENECARBOHYDRAZIDE) Hazard Symbols IrritantXi
Synonyms

1,3-Dichloro-2-methoxybenzene-5-carbohydrazide;

Article Data 3

Benzoic acid,3,5-dichloro-4-methoxy-, hydrazide Specification

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.

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