Cresol red

C₂₁H₁₈O₅SCAS 1733-12-6382.43 g/mol

Open in Covalent MOL file

Phenol Sulfonate ester

Properties

Molecular formula: C₂₁H₁₈O₅S
Molar mass: 382.43 g/mol
Exact mass: 382.0875 Da
Melting point: above 300 °C
logP: 3.73Crippen estimate
Polar surface area: 83.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation91.3% of notifiers
H319 Causes serious eye irritation91.3% of notifiers
H335 May cause respiratory irritation91.3% of notifiers

Aggregated from 46 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

1733-12-6

SMILES

Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3ccccc32)ccc1O

InChIKey

OBRMNDMBJQTZHV-UHFFFAOYSA-N

InChI

InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-
o-Cresol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide
o-Cresolsulfonephthalein
Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-, S,S-dioxide
o-Toluenesulfonic acid, α-hydroxy-α,α-bis(4-hydroxy-m-tolyl)-, γ-sultone
3H-2,1-Benzoxathiole, phenol deriv.
4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methylphenol]
o-Cresol red
o-Cresolsulfonphthalein
3′,3′′-Dimethylphenolsulfonephthalein
Cresolsulfophthalein
NSC 7224

Work with Cresol red

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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.

Cresol red sodium62625-29-0Salt

Similar compounds

Pyrocatechol violet115-41-376 % similar Xylenol blue125-31-570 % similar Bromophenol red2800-80-869 % similar Chlorophenol red4430-20-069 % similar Bromocresol purple115-40-263 % similar Phenol red143-74-860 % similar Thymol blue76-61-959 % similar Iodophenol blue4430-24-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Metacresol purple2303-01-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia