Cas no 2439-00-1 (Benzeneacetic acid,2,3,6-trichloro-, sodium salt (1:1))
2439-00-1 structure
Product Name:Benzeneacetic acid,2,3,6-trichloro-, sodium salt (1:1)
CAS No:2439-00-1
MF:C8H4Cl3NaO2
MW:261.464930534363
CID:251254
PubChem ID:23691996
Update Time:2025-04-19
Benzeneacetic acid,2,3,6-trichloro-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid,2,3,6-trichloro-, sodium salt (1:1)
- sodium,2-(2,3,6-trichlorophenyl)acetate
- 2,3,6-Trichlorophenylacetic acid sodium salt
- Benzeneacetic acid, 2,3,6-trichloro-, sodium salt
- Caswell No. 882C
- Chlorfenac-sodium
- Chlorfenac-sodium [ISO]
- CP M-673-A
- EPA Pesticide Chemical Code 082602
- Fenac sodium salt
- HRS 211
- Sodium 2,3,6-trichlorobenzeneacetate
- Sodium 2,3,6-trichlorophenylacetate
- Sodium chlorfenac
- CHEBI:142833
- SCHEMBL143949
- Z5HX5BO6XP
- Benzeneacetic acid, 2,3,6-trichloro-, sodium salt (1:1)
- 2,3,6-TRICHLOROPHENYLACETIC ACID, SODIUM SALT
- sodium (2,3,6-trichlorophenyl)acetate
- DTXSID4041319
- 2,3,6-Trichlorobenzeneacetic acid sodium salt
- 2439-00-1
- UNII-Z5HX5BO6XP
- NS00082775
- Chlorfenac sodium
- EINECS 219-454-8
- Q27295027
-
- Inchi： 1S/C8H5Cl3O2.Na/c9-5-1-2-6(10)8(11)4(5)3-7(12)13;/h1-2H,3H2,(H,12,13);/q;+1/p-1
- InChI Key： YPWJVPXHSDMPQB-UHFFFAOYSA-M
- SMILES： ClC1C(=CC=C(C=1CC(=O)[O-])Cl)Cl.[Na+]
Computed Properties
- Exact Mass: 259.91762
- Monoisotopic Mass: 237.935513
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 203
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 37.3
Experimental Properties
- Density: 1.568
- Melting Point: 161 DEG C
- Boiling Point: 353.5°Cat760mmHg
- Flash Point: 167.6°C
- PSA: 40.13
Benzeneacetic acid,2,3,6-trichloro-, sodium salt (1:1) Related Literature
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2. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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