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2-Amino-4-chloro-6-nitrophenol hydrochloride

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Name

2-Amino-4-chloro-6-nitrophenol hydrochloride

EINECS 267-197-5
CAS No. 67815-68-3 Density N/A
PSA 92.07000 LogP 3.44240
Solubility N/A Melting Point N/A
Formula C6H6Cl2N2O3 Boiling Point 308.3 ºC at 760 mmHg
Molecular Weight 225.03 Flash Point 140.2 ºC
Transport Information N/A Appearance Dark brown crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 67815-68-3 (2-Amino-4-chloro-6-nitrophenol hydrochloride) Hazard Symbols N/A
Synonyms

Phenol,2-amino-4-chloro-6-nitro-, monohydrochloride (9CI);2-Amino-4-chloro-6-nitrophenol hydrochloride;4-Chloro-6-nitro-2-aminophenol, hydrochloride;

 

2-Amino-4-chloro-6-nitrophenol hydrochloride Specification

The IUPAC name of 2-Amino-4-chloro-6-nitrophenol hydrochloride is 2-amino-4-chloro-6-nitrophenol hydrochloride. With the CAS registry number 67815-68-3, it is also named as 4-Chloro-6-nitro-2-aminophenol, hydrochloride. The product is dark brown crystalline powder which is used as dye intermediates. In addition, its molecular formula is C6H6Cl2N2O3 and its molecular weight is 225.03.

The other characteristics of 2-Amino-4-chloro-6-nitrophenol hydrochloride can be summarized as: (1)EINECS: 267-197-5; (2)ACD/LogP: 2.69; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.6; (5)ACD/LogD (pH 7.4): 1.42; (6)ACD/BCF (pH 5.5): 53.02; (7)ACD/BCF (pH 7.4): 3.51; (8)ACD/KOC (pH 5.5): 562.14; (9)ACD/KOC (pH 7.4): 37.18; (10)H bond acceptors: 5; (11)H bond donors: 3; (12)Freely Rotating Bonds: 3; (13)Rotatable Bond Count: 0; (14)Tautomer Count: 7; (15)Exact Mass: 223.975547; (16)MonoIsotopic Mass: 223.975547; (17)Topological Polar Surface Area: 92.1; (18)Heavy Atom Count: 13; (19)Complexity: 184; (20)Flash Point: 140.2 °C; (21)Enthalpy of Vaporization: 57.08 kJ/mol; (22)Boiling Point: 308.3 °C at 760 mmHg; (23)Vapour Pressure: 0.000378 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Clc1cc(c(O)c(N)c1)[N+]([O-])=O.Cl
(2)InChI:InChI=1/C6H5ClN2O3.ClH/c7-3-1-4(8)6(10)5(2-3)9(11)12;/h1-2,10H,8H2;1H
(3)InChIKey:RFDPPSSSVZVKQL-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C6H5ClN2O3.ClH/c7-3-1-4(8)6(10)5(2-3)9(11)12;/h1-2,10H,8H2;1H
(5)Std. InChIKey:RFDPPSSSVZVKQL-UHFFFAOYSA-N

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