4-Chloro-3-nitrophenylacetic acid supplier

Name
4-CHLORO-3-NITROPHENYLACETIC ACID
EINECS
CAS No. 37777-68-7
Article Data2
CAS DataBase
Density 1.533 g/cm³
Solubility
Melting Point 106.0 to 110.0 °C
Formula C₈H₆ClNO₄
Boiling Point 401.587 °C at 760 mmHg
Molecular Weight 215.59
Flash Point 196.673 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Nitro-4-chlorophenylacetic acid;TL8002775;
PSA 83.12000
LogP 2.39850

4-Chloro-3-nitrophenylacetic acid Specification

The Benzeneaceticacid, 4-chloro-3-nitro-, with the CAS registry number 37777-68-7, is also known as 3-nitro-4-chlorophenylacetic acid. It belongs to Aromatic Phenylacetic Acids and Derivatives; Pharmacetical; Organic acids. This chemical's molecular formula is C₈H₆ClNO₄ and molecular weight is 215.59. What's more, its IUPAC name is called 2-(4-chloro-3-nitrophenyl)acetic acid.

Physical properties of Benzeneaceticacid, 4-chloro-3-nitro- are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/LogD (pH 7.4): -1.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.62; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 48.8 cm³; (15)Molar Volume: 140.6 cm³; (16)Surface Tension: 63.4 dyne/cm; (17)Density: 1.532 g/cm³; (18)Flash Point: 196.7 °C; (19)Enthalpy of Vaporization: 68.82 kJ/mol; (20)Boiling Point: 401.6 °C at 760 mmHg; (21)Vapour Pressure: 3.6E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])Cl
(2)InChI: InChI=1S/C8H6ClNO4/c9-6-2-1-5(4-8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
(3)InChIKey: WUXCECMNMNJYSC-UHFFFAOYSA-N

Product Name

4-CHLORO-3-NITROPHENYLACETIC ACID

4-Chloro-3-nitrophenylacetic acid Specification

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