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4-Aminophthalhydrazide

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Name

4-Aminophthalhydrazide

EINECS N/A
CAS No. 3682-14-2 Density 1.433 g/cm3
PSA 91.74000 LogP 0.37980
Solubility N/A Melting Point 300 °C(lit.)
Formula C8H7N3O2 Boiling Point 633 °C at 760 mmHg
Molecular Weight 177.162 Flash Point 336.7 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3682-14-2 (4-Aminophthalhydrazide) Hazard Symbols IrritantXi
Synonyms

1,4-Phthalazinedione,6-amino-2,3-dihydro- (6CI,7CI,8CI,9CI);4-Luminol;6-Amino-2,3-dihydro-1,4-phthalazinedione;Isoluminol;NSC 13567;

Article Data 10

4-Aminophthalhydrazide Specification

The cas register number of 4-Aminophthalhydrazide is 3682-14-2. It also can be called as Iso-luminol and the Systematic name about this chemical is 6-amino-2,3-dihydrophthalazine-1,4-dione.

Physical properties about 4-Aminophthalhydrazide are: (1)ACD/LogP: -0.71 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.71 ; (4)ACD/LogD (pH 7.4): -0.71 ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.8; (8)ACD/KOC (pH 7.4): 9.8; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.86Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 45 cm3; (15)Molar Volume: 123.6 cm3; (16)Surface Tension: 62.2 dyne/cm; (17)Density: 1.433 g/cm3; (18)Flash Point: 336.7 °C; (19)Enthalpy of Vaporization: 97 kJ/mol; (20)Boiling Point: 633 °C at 760 mmHg; (21)Vapour Pressure: 1.28E-16 mmHg at 25°C.

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.  People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C2c1c(ccc(N)c1)C(=O)NN2
2.InChI: InChI=1/C8H7N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2,(H,10,12)(H,11,13) 
3.InChIKey: HUDPLKWXRLNSPC-UHFFFAOYAM
4.Std. InChI: InChI=1S/C8H7N3O2/c9-4-1-2-5-6(3-4)8(13)11-10-7(5)12/h1-3H,9H2,(H,10,12)(H,11,13)

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