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| CAS No.: | 62625-28-9 |
|---|---|
| Name: | 3',3",5',5"-Tetrabromophenolsulfophthalein sodium salt |
| Molecular Structure: | |
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| Formula: | C19H10 Br4 O5 S . Na |
| Molecular Weight: | 691.949 |
| Synonyms: | Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-, monosodiumsalt (9CI); Phenol, 4,4'-(3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-,S,S-dioxide, monosodium salt; 3H-1,2-Benzoxathiole, phenol deriv. |
| EINECS: | 263-653-2 |
| Density: | 0.954 g/mL at 20 °C |
| Melting Point: | >300°C |
| Solubility: | soluble |
| Appearance: | blue |
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 |
| Safety: | 53-45 |
| Transport Information: | UN 2265 3 |
| PSA: | 102.88000 |
| LogP: | 7.62510 |
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Chemistry
Molecular Structure of Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-, sodium salt(1:1) (CAS No. 62625-28-9):
IUPAC Name: Sodium 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Molecular Formula: C19H9Br4NaO5S
Molecular Weight: 691.94
CAS Registry Number: 62625-28-9
Appearance: dark green powder
Melting Point: >300°C
Water Solubility: soluble
Storage Temp.: Store at RT.
Stability: Stable. Incompatible with strong oxidizing agents.
Polar Surface Area: 89.05 Å2
EINECS: 204-086-2
Product Categories: Organics
Structure Descriptors of Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-, sodium salt(1:1) (CAS No. 62625-28-9):
SMILES: [Na+].Br\C3=C\C(=C(/c1cc(Br)c(O)c(Br)c1)c2ccccc2S([O-])(=O)=O)\C=C(\Br)C3=O
InChI: InChI=1/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)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
InChIKey: TWKDJMRHSLWRFI-REWHXWOFAX
Std. InChI: InChI=1S/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)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
Std. InChIKey: TWKDJMRHSLWRFI-UHFFFAOYSA-M
Safety Profile
Safety Information of Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-, sodium salt(1:1) (CAS No. 62625-28-9):
Hazard Codes: T
,Xi 
Risk Statements: 61-20/21-36-36/37/38
R61:May cause harm to the unborn child.
R20/21:Harmful by inhalation and in contact with skin.
R36:Irritating to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 53-45-37/39-26
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2265 3/PG 3
WGK Germany: 3
RTECS: SJ7453000
Specification
Phenol,4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-, sodium salt(1:1) with cas registry number of 62625-28-9 is also called Bromophenol blue sodium salt ; Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis(2,6-dibromo-, monosodium salt ; Phenol, 4,4'-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis(2,6-dibromo-, sodium salt (1:1) ; Phenol, 4,4'-(3H-1,2-benzoxathiol-3-ylidene)bis(2,6-dibromo-, S,S-dioxide, monosodium salt ; Sodium alpha-(3,5-dibromo-4-oxo-2,5-cyclohexadienylidene)-alpha-(3,5-dibromo-4-hydroxyphenyl)toluenesulphonate ; 3',3'',5',5''-Tetrabromophenolsulfophthalein sodium salt .