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Benzoic acid,3,4-diamino-, hydrazide

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Name

Benzoic acid,3,4-diamino-, hydrazide

EINECS N/A
CAS No. 103956-09-8 Density 1.367 g/cm3
PSA 107.16000 LogP 1.70810
Solubility slightly soluble in water Melting Point 157-161 °C(lit.)
Formula C7H10N4O Boiling Point N/A
Molecular Weight 166.183 Flash Point N/A
Transport Information N/A Appearance brown solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 103956-09-8 (3,4-DIAMINOBENZHYDRAZIDE) Hazard Symbols IrritantXi
Synonyms

3,4-Diaminobenzhydrazide;

Article Data 2

Benzoic acid,3,4-diamino-, hydrazide Specification

The Benzoic acid,3,4-diamino-, hydrazide is an organic compound with the formula C7H10N4O. The IUPAC name of thsi chemical is 3,4-diaminobenzohydrazide and CAS registry number is 103956-09-8. The product's categories are Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Carbonyl Compounds; Hydrazides; Organic Building Blocks. It is brown solid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of Benzoic acid,3,4-diamino-, hydrazide can be summarized as: (1)ACD/LogP: -1.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -1.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.42; (8)ACD/KOC (pH 7.4): 3.47; (9)#H bond acceptors: 5; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 30.03 Å2; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 47.25 cm3; (15)Molar Volume: 121.5 cm3; (16)Polarizability: 18.73×10-24 cm3; (17)Surface Tension: 78.1 dyne/cm; (18)Density: 1.367 g/cm3; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 14; (21)Exact Mass: 166.085461; (22)MonoIsotopic Mass: 166.085461; (23)Topological Polar Surface Area: 107; (24)Heavy Atom Count: 12; (25)Complexity: 173.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(c1cc(N)c(N)cc1)NN
2. InChI:InChI=1/C7H10N4O/c8-5-2-1-4(3-6(5)9)7(12)11-10/h1-3H,8-10H2,(H,11,12)
3. InChIKey:YGCXQTYRSKMILM-UHFFFAOYAR

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