Bromocresol purple
Properties
- Molecular formula
- C21H16Br2O5S
- Molar mass
- 540.22 g/mol
- Exact mass
- 537.9085 Da
- Melting point
- 241.5 °C
- pKa
- 6.3
- logP
- 5.25Crippen estimate
- Polar surface area
- 83.8 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation93.1% of notifiers
- H319 Causes serious eye irritation93.1% of notifiers
- H335 May cause respiratory irritation92.1% of notifiers
Aggregated from 101 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
115-40-2SMILES
Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1OInChIKey
ABIUHPWEYMSGSR-UHFFFAOYSA-NInChI
InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-
- o-Cresol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[6-bromo-, S,S-dioxide
- Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-, S,S-dioxide
- o-Toluenesulfonic acid, α,α-bis(5-bromo-4-hydroxy-m-tolyl)-α-hydroxy-, γ-sultone
- 3H-2,1-Benzoxathiole, phenol deriv.
- 4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methylphenol]
- Bromcresol purple
- NSC 374134
Work with Bromocresol purple
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Bromophenol blue115-39-981 % similar
Bromochlorophenol blue2553-71-171 % similar
Bromophenol blue sodium salt33551-92-767 % similar
Bromophenol red2800-80-867 % similar
Bromocresol green76-60-865 % similar
Cresol red1733-12-663 % similar
Iodophenol blue4430-24-463 % similar
Bromopyrogallol red16574-43-962 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.