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CAS No.: | 3291-03-0 |
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Name: | 3,4,5-Trimethoxybenzhydrazide |
Article Data: | 101 |
Molecular Structure: | |
Formula: | C10H14N2O4 |
Molecular Weight: | 226.232 |
Synonyms: | (3,4,5-Trimethoxybenzoyl)hydrazine;3,4,5-Trimethoxybenzoic acid hydrazide;NSC 39075; |
EINECS: | 221-954-6 |
Density: | 1.197 g/cm3 |
Melting Point: | 158-160 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 82.81000 |
LogP: | 1.40710 |
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This chemical is called 3,4,5-Trimethoxybenzohydrazide, and its CAS registry number is 3291-03-0. With the molecular formula of C10H14N2O4, its product categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes. In addition, this chemical should be sealed in the ventilated and dry place. Pack the interior with plastic bags and its outside with drum or barrel.
Other characteristics of the 3,4,5-Trimethoxybenzohydrazide can be summarised as followings: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.12; (8)ACD/KOC (pH 7.4): 31.26; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.24 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 58.81 cm3; (15)Molar Volume: 188.9 cm3; (16)Polarizability: 23.31×10-24cm3; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.197 g/cm3.
Production method of this chemical: The gallic acid and dimethyl sulfate have the methylation in the alkaline conditions, generating the 3,4,5 - trimethoxy benzoate. Then its product reacts with the hydrazine hydrate, obtaining the 3,4,5-Trimethoxybenzohydrazide.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1cc(OC)c(OC)c(OC)c1)NN
2.InChI: InChI=1/C10H14N2O4/c1-14-7-4-6(10(13)12-11)5-8(15-2)9(7)16-3/h4-5H,11H2,1-3H3,(H,12,13)
3.InChIKey: KQXHMNUXNHQSOW-UHFFFAOYAB