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2760-98-7

Basic Information
CAS No.: 2760-98-7
Name: Isophthalic dihydrazide
Article Data: 22
Molecular Structure:
Molecular Structure of 2760-98-7 (Isophthalic dihydrazide)
Formula: C8H10N4O2
Molecular Weight: 194.193
Synonyms: 1,3-Benzenedicarboxylicacid, dihydrazide (9CI);Isophthalic acid, dihydrazide (6CI,7CI,8CI);1,3-Phenylenebiscarbohydrazide;417;IDH-S;Isophthalic acid hydrazide;Isophthalic dihydrazide;Isophthalic hydrazide;Isophthaloyl dihydrazide;Isophthaloyl hydrazide;Isophthalyl dihydrazide;NSC 75606;
EINECS: 220-425-7
Density: 1.344 g/cm3
Melting Point: 224 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 110.24000
LogP: 1.07600
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Specification

The Isophthalic dihydrazide, with the CAS registry number 2760-98-7, is also known as 1,3-Phenylenebiscarbohydrazide. Its EINECS registry number is 220-425-7. This chemical's molecular formula is C8H10N4O2 and molecular weight is 194.19. What's more, its systematic name and IUPAC name are the same which is called Benzene-1,3-dicarbohydrazide. This chemical should be kept airtight in a cool and dry environment.

Physical properties about Isophthalic dihydrazide are: (1)ACD/LogP: -1.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.45; (4)ACD/LogD (pH 7.4): -1.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.86; (8)ACD/KOC (pH 7.4): 3.87; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.1 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 51.3 cm3; (15)Molar Volume: 144.4 cm3; (16)Surface Tension: 66.1 dyne/cm; (17)Density: 1.344 g/cm3; (22)Melting point: 224 °C.

Preparation of Isophthalic dihydrazide: this chemical is prepared by reaction of Isophthalic acid dimethyl ester with Hydrazine hydrate.



The reaction occurs with reagent Hydrazine hydrate at temperature of 65 °C. The yield is 70%.

Uses of Isophthalic dihydrazide: it is used to produce other chemicals. For example, it is used to produce C20H16N6O2.



The reaction occurs with solvent Ethanol heating for 0.5 hour. The yield is 92%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NN)c1cccc(C(=O)NN)c1
(2) InChI: InChI=1/C8H10N4O2/c9-11-7(13)5-2-1-3-6(4-5)8(14)12-10/h1-4H,9-10H2,(H,11,13)(H,12,14)
(3) InChIKey: UTTHLMXOSUFZCQ-UHFFFAOYAC