CAS No.67815-68-3,2-Amino-4-chloro-6-nitrophenol hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67815-68-3
Name:	2-Amino-4-chloro-6-nitrophenol hydrochloride

Formula:	C₆H₆Cl₂N₂O₃
Molecular Weight:	225.03
Synonyms:	Phenol,2-amino-4-chloro-6-nitro-, monohydrochloride (9CI);2-Amino-4-chloro-6-nitrophenol hydrochloride;4-Chloro-6-nitro-2-aminophenol, hydrochloride;
EINECS:	267-197-5
Boiling Point:	308.3 ºC at 760 mmHg
Flash Point:	140.2 ºC
Appearance:	Dark brown crystalline powder
PSA:	92.07000
LogP:	3.44240

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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