Sodium picrate monohydrate supplier

Name
Sodium picrate monohydrate
EINECS
CAS No. 73771-13-8
Density
Solubility
Melting Point 277-278 °C
Formula C₆H₄N₃NaO₈
Boiling Point 303.6 °C at 760 mmHg
Molecular Weight 269.103
Flash Point 133.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenol,2,4,6-trinitro-, sodium salt, monohydrate (9CI);Sodium picrate monohydrate;sodium 2,4,6-trinitrophenolate hydrate;
PSA 169.75000
LogP 3.06030

Sodium picrate monohydrate Specification

The Sodium picrate monohydrate, with the CAS registry number 73771-13-8, has the systematic name of sodium 2,4,6-trinitrophenolate hydrate. It is also called Sodium picrate monohydrate. And the molecular formula of this chemical is C₆H₄N₃NaO₈.

The physical properties of Sodium picrate monohydrate are as following: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.31; (4)ACD/LogD (pH 7.4): -1.31; (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: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 157.69 Å²; (13)Flash Point: 133.9 °C; (14)Enthalpy of Vaporization: 56.56 kJ/mol; (15)Boiling Point: 303.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000514 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1[O-])[N+]([O-])=O.O
(2)InChI: InChI=1/C6H3N3O7.Na.H2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;;/h1-2,10H;;1H2/q;+1;/p-1
(3)InChIKey: QPLRMNSYVHRSDW-REWHXWOFAD

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03081,

Product Name

Sodium picrate monohydrate

Sodium picrate monohydrate Specification

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