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Pasiniazid

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Name

Pasiniazid

EINECS 218-183-2
CAS No. 2066-89-9 Density N/A
PSA 151.56000 LogP 2.03010
Solubility N/A Melting Point 142-144°
Formula C7H7NO3.C6H7N3O Boiling Point 380.8 °C at 760 mmHg
Molecular Weight 290.279 Flash Point 184.1 °C
Transport Information N/A Appearance COA
Safety 26-36/37 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 2066-89-9 (Pasiniazid) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

Pasiniazide;Isoniazid & p-Aminosalicylic acid;Pasiniazid [DCF:INN];Pasiniazidum [INN-Latin];Pasiniazide [INN-French];4-amino-2-hydroxy-benzoic acid; pyridine-4-carbohydrazide;Pasiniazida [INN-Spanish];Isoniazid 4-aminosalicylate;4-Pyridinecarboxylic acid,hydrazides,hydrazide,mono(4-amino-2-hydroxybenzoate);Isonicotinic acid hydrazide compound with 4-amino-salicylic acid;

Article Data 3

Pasiniazid Specification

The Pasiniazid, with the CAS registry number 2066-89-9 and EINECS registry number 218-183-2, has the systematic name of 4-amino-2-hydroxybenzoic acid - pyridine-4-carbohydrazide (1:1). And the molecular formula of the chemical is C7H7NO3.C6H7N3O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.57; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å2; (13)Flash Point: 184.1 °C; (14)Enthalpy of Vaporization: 66.34 kJ/mol; (15)Boiling Point: 380.8 °C at 760 mmHg; (16)Vapour Pressure: 1.78E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NN)c1ccncc1.O=C(O)c1ccc(N)cc1O
(2)InChI: InChI=1/C7H7NO3.C6H7N3O/c8-4-1-2-5(7(10)11)6(9)3-4;7-9-6(10)5-1-3-8-4-2-5/h1-3,9H,8H2,(H,10,11);1-4H,7H2,(H,9,10)
(3)InChIKey: RKPHTRVPGYGVQD-UHFFFAOYAC

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