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| CAS No.: | 73771-11-6 |
|---|---|
| Name: | 4-CHLORO-PYRIDINE-2-CARBOXYLIC ACID HYDRAZIDE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H6ClN3O |
| Molecular Weight: | 171.586 |
| Synonyms: | 4-Chloro-2-picolinicacid hydrazide;4-Chloropicolinic acid hydrazide;4-Chloropyridine-2-carboxylicacid hydrazide;NSC 146826;4-chloropyridine-2-carbohydrazide;2-pyridinecarboxylic acid, 4-chloro-, hydrazide;2-Pyridinecarboxylic acid, 4-chloro-, hydrazide (9CI);4-Chloropyridine-2-carbohydrazide; |
| Density: | 1.404 g/cm3 |
| Melting Point: | 165-167ºC |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22 |
| PSA: | 68.01000 |
| LogP: | 1.42970 |
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Specification
The 2-Pyridinecarboxylicacid, 4-chloro-, hydrazide, with the CAS registry number 73771-11-6, has the systematic name and IUPAC name of 4-chloropyridine-2-carbohydrazide. It belongs to the following product categories: Blocks; Carboxes; Pyridines. And the molecular formula of the chemical is C6H6ClN3O.
The characteristics of 2-Pyridinecarboxylicacid, 4-chloro-, hydrazide are as followings: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.46; (4)ACD/LogD (pH 7.4): -0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.36; (8)ACD/KOC (pH 7.4): 13.37; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.44 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 41.76 cm3; (15)Molar Volume: 122.1 cm3; (16)Polarizability: 16.55×10-24cm3; (17)Surface Tension: 59.8 dyne/cm; (18)Density: 1.404 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccnc(C(=O)NN)c1
(2)InChI: InChI=1/C6H6ClN3O/c7-4-1-2-9-5(3-4)6(11)10-8/h1-3H,8H2,(H,10,11)
(3)InChIKey: JORBLRWFTPDRLZ-UHFFFAOYAJ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 320mg/kg (320mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05234, |