2-(4,5-Dichloro-2-nitrophenyl)acetic acid supplier

Name
2-(4,5-Dichloro-2-nitrophenyl)acetic acid
EINECS
CAS No. 37777-90-5
Article Data3
CAS DataBase
Density 1.638 g/cm³
Solubility
Melting Point 127-130°
Formula C₈H₅C_l2NO₄
Boiling Point 388 °C at 760 mmHg
Molecular Weight 250.04
Flash Point 188.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dichloronitrophenylacetic acid;
PSA 83.12000
LogP 3.05190

2-(4,5-Dichloro-2-nitrophenyl)acetic acid Specification

The 2-(4,5-Dichloro-2-nitrophenyl)acetic acid, with the CAS registry number of 37777-90-5, is also known as Dichloronitrophenylacetic acid. This chemical's molecular formula is C₈H₅C_l2NO₄ and molecular weight is 250.04. What's more, its IUPAC name is 2-(4,5-Dichloro-2-nitrophenyl)acetic acid.

Physical properties about the 2-(4,5-Dichloro-2-nitrophenyl)acetic acid are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.03; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.12Å²; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 53.7 cm³; (14)Molar Volume: 152.6 cm³; (15)Surface Tension: 64.7 dyne/cm; (16)Density: 1.638 g/cm³; (17)Flash Point: 188.5 °C; (18)Enthalpy of Vaporization: 67.2 kJ/mol; (19)Boiling Point: 388 °C at 760 mmHg; (20)Vapour Pressure: 1.03E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:Clc1cc([N+]([O-])=O)c(cc1Cl)CC(=O)O
(2) InChI:InChI=1/C8H5Cl2NO4/c9-5-1-4(2-8(12)13)7(11(14)15)3-6(5)10/h1,3H,2H2,(H,12,13)
(3) InChIKey:NIBVBDGBJQMRNF-UHFFFAOYAD

Product Name

2-(4,5-Dichloro-2-nitrophenyl)acetic acid

2-(4,5-Dichloro-2-nitrophenyl)acetic acid Specification

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