| CAS Number | 123333-64-2 |
| Catalog Number | AG000KDX(AGN-PC-0PHDSX) |
| Chemical Name | Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-chloro-, sodium salt (1:1) |
| IUPAC Name | sodium;2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenolate |
| InChI | InChI=1S/C19H12Cl2O5S.Na/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19;/h1-10,22-23H;/q;+1/p-1 |
| InChI Key | YQDIGZFHHZGTEF-UHFFFAOYSA-M |
| MDL Number | MFCD00151199 |
| Molecular Formula | C19H11Cl2NaO5S |
| Molecular Weight | 445.2484 |
| SMILES | [O-]C1=CC=C(C2(C3=CC=C(O)C(Cl)=C3)C4=CC=CC=C4S(O2)(=O)=O)C=C1Cl.[Na+] |
| Synonyms | 123333-64-2,
MFCD00151199,
Sodium 2-chloro-4-(3-(3-chloro-4-hydroxyphenyl)-1,1-dioxido-3H-benzo[c][1,2]oxathiol-3-yl)phenolate,
C19H11Cl2O5S.Na,
Chlorophenol Red, sodium salt,
6501AF,
AKOS015904014,
AKOS030529172,
FT-0623689,
I14-17983,
Chlorophenol Red sodium salt, 0.04% w/v aqueous solution,
Chlorophenol Red sodium salt,
Chlorophenol Red sodium salt solution, 0.04% w/v in water 100ml,
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| Complexity | 659 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 443.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.242g/mol |
| Monoisotopic Mass | 443.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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UN Code
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Certificate of Analysis
Lot Number