Bromocresol Purple (CAS 115-40-2) — formula C21H16Br2O5S, molecular weight 540.2; category organic chemicals.
| CAS Number | 115-40-2 |
|---|---|
| Molecular Formula | C21H16Br2O5S |
| Molecular Weight | 540.2 |
| Melting Point | 241.5 °C |
| LogP | 5.1 |
| Applications | Uses: A sulfonphthalein dye used as a pH indicator, [CHEMINFO] Used as a pH indicator for the pH range of 5.2-6.8 and 10.2-11.8, [Ullmann], As indicator, pH 5.2 yellow, pH 6.8 purple, Methods of Manufacturing: Prepared by treating o-cresol red with bromine in glacial acetic acid., General Manufacturing Information: Phenol, 4, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: A sulfonphthalein dye used as a pH indicator, [CHEMINFO] Used as a pH indicator for the pH range of 5.2-6.8 and 10.2-11.8, [Ullmann], As indicator, pH 5.2 yellow, pH 6.8 purple, Methods of Manufacturing: Prepared by treating o-cresol red with bromine in glacial acetic acid., General Manufacturing Information: Phenol, 4, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-: ACTIVE.
Bromocresol Purple is a carbon-based organic compound with CAS registry number 115-40-2 and molecular formula C21H16Br2O5S (molecular weight 540.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 115-40-2
Its molecular formula C21H16Br2O5S comprises 21 C, 16 H, 2 Br, 5 O, 1 S atoms.
Also known as: Bromocresol Purple · 溴甲酚紫
Category: organic chemicals
The CAS registry number of Bromocresol Purple is 115-40-2.
Molecular formula C21H16Br2O5S, molecular weight 540.2.
It is also registered under: Bromocresol Purple, 溴甲酚紫.
Recorded applications: Uses: A sulfonphthalein dye used as a pH indicator, [CHEMINFO] Used as a pH indicator for the pH range of 5.2-6.8 and 10.2-11.8, [Ullmann], As indicator, pH 5.2 yellow, pH 6.8 purple, Methods of Manufacturing: Prepared by treating o-cresol red with bromine in glacial acetic acid., General Manufacturing Information: Phenol, 4, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Bromocresol Purple (CAS 115-40-2), compiled from public chemistry databases.
| CAS Registry Number | 115-40-2 |
|---|---|
| PubChem CID | 8273 |
| Molecular formula | C21H16Br2O5S |
| IUPAC name | 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-6-methylphenol |
| UNII (FDA) | 201C22C3EC |
| Molecular Weight | 540.2 |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 539.90647 |
| Monoisotopic Mass | 537.90852 |
| Topological Polar Surface Area | 92.2 |
| Heavy Atom Count | 29 |
| Melting Point | 241.5 °C |
|---|---|
| Dissociation Constants | pKa = 6.3 |
Bromocresol purple; 115-40-2; BROMCRESOL PURPLE; DTXSID3059428; HSDB 7729; 201C22C3EC; NSC-374134; Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-; CHEBI:86154; Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl-; Purple, Bromcresol; Purple, Bromocresol; RefChem:121504; DTXCID8033354; Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl)-, S,S-dioxide; 204-087-8
| GHS notification summary | 6.9% (7 / 101) |
|---|
| GHS notification summary | 6.9% (7 / 101) |
|---|---|
| Reported hazard statements | H315 (93.1%), H319 (93.1%), H335 (92.1%) |
This chemical does not meet GHS hazard criteria for 6.9% (7 of 101) of reports.
H315 (93.1%): Causes skin irritation [Warning Skin corrosion/irritation]
Bromocresol Purple · CAS 115-40-2 · C21H16Br2O5S. UNII 201C22C3EC. Melting Point: 241.5 °C; Dissociation Constants: pKa = 6.3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 溴甲酚紫