Pasiniazid supplier | CasNO.2066-89-9

Name
Pasiniazid
EINECS 218-183-2
CAS No. 2066-89-9
Article Data3
CAS DataBase
Density
Solubility
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
Appearance COA
Safety 26-36/37
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xi, Xn
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;
PSA 151.56000
LogP 2.03010

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

Product Name

Pasiniazid

Pasiniazid Specification

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