- Bromochlorophenol Blue
- Bromochlorophenol Blue sodium salt
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| Name |
Bromochlorophenol Blue sodium salt |
EINECS | 999-999-2 |
| CAS No. | 102185-52-4 | Density | N/A |
| PSA | 102.88000 | LogP | 6.57910 |
| Solubility | soluble in water | Melting Point |
>250°C |
| Formula | C19H9Br2Cl2NaO5S | Boiling Point | N/A |
| Molecular Weight | 580.0513 | Flash Point | N/A |
| Transport Information | N/A | Appearance | black powder |
| Safety | 24/25 | Risk Codes | R34; R22 |
| Molecular Structure |
|
Hazard Symbols |
 C, Xn
|
| Synonyms |
Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-,monosodium salt (9CI);Phenol,4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-, S,S-dioxide,monosodium salt;sodium 2-[(Z)-(3-bromo-5-chloro-4-hydroxyphenyl)(3-bromo-5-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate;Bromochlorophenol Blue sodium salt; |
Bromochlorophenol Blue sodium salt Specification
The Bromochlorophenol Blue sodium salt, with the CAS registry number 102185-52-4, has the systematic name of sodium 2-[(Z)-(3-bromo-5-chloro-4-hydroxyphenyl)(3-bromo-5-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate. It is a kind of black powder, and while dealing with it, you should avoid contacting with skin and eyes. And the molecular formula of the chemical is C19H9Br2Cl2NaO5S.
The characteristics of Bromochlorophenol Blue sodium salt are as followings: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 102.88 Å2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].Br\C1=CC(/C=C(/Cl)C1=O)=C(/c2cc(Cl)c(O)c(Br)c2)c3ccccc3S([O-])(=O)=O
(2)InChI: InChI=1/C19H10Br2Cl2O5S.Na/c20-12-5-9(7-14(22)18(12)24)17(10-6-13(21)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1/b17-10+;
(3)InChIKey: BWDKAKIITIACLI-JTGXNLPGBC
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