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CAS No.: | 30991-42-5 |
---|---|
Name: | 2-HYDROXY-3-METHYLBENZHYDRAZIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H10N2O2 |
Molecular Weight: | 166.18 |
Synonyms: | 2,3-Cresoticacid, hydrazide (7CI,8CI);(2-Hydroxy-3-methylbenzoyl)hydrazine;2-Hydroxy-3-methylbenzoylhydrazide;NSC 97208;o-Cresotic acid hydrazide;2-hydroxy-3-methylbenzohydrazide;3-Methylsalicylhydrazide;Benzoic acid, 2-hydroxy-3-methyl-, hydrazide; |
EINECS: | -0 |
Density: | 1.262 g/cm3 |
Melting Point: | 190-191°C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 75.35000 |
LogP: | 1.39530 |
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The Benzoic acid,2-hydroxy-3-methyl-, hydrazide, with the CAS registry number 30991-42-5, has the systematic name and IUPAC name of 2-hydroxy-3-methylbenzohydrazide. It belongs to the following product categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. And the molecular formula of the chemical is C8H10N2O2.
The characteristics of Benzoic acid,2-hydroxy-3-methyl-, hydrazide are as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.75; (6)ACD/BCF (pH 7.4): 3.44; (7)ACD/KOC (pH 5.5): 89.46; (8)ACD/KOC (pH 7.4): 82.14; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 45.48 cm3; (15)Molar Volume: 131.6 cm3; (16)Polarizability: 18.03×10-24cm3; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.262 g/cm3.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1cccc(c1O)C)NN
(2)InChI: InChI=1/C8H10N2O2/c1-5-3-2-4-6(7(5)11)8(12)10-9/h2-4,11H,9H2,1H3,(H,10,12)
(3)InChIKey: UWNTVIWGDXKENJ-UHFFFAOYAU