p-Xylenol Blue

Name: p-Xylenol Blue
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 27384

CAS 125-31-5C23H22O5SMW 410.5

p-Xylenol Blue (CAS 125-31-5) — formula C23H22O5S, molecular weight 410.5; category organic chemicals.

Specifications

CAS Number125-31-5

Molecular FormulaC23H22O5S

Molecular Weight410.5

LogP4.5

ApplicationsGeneral Manufacturing Information: Phenol, 4, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[2, 5-dimethyl-: ACTIVE

CategoryOrganic Chemicals

Where it is used

Documented applications: General Manufacturing Information: Phenol, 4, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[2, 5-dimethyl-: ACTIVE.

Purchase Profile

What this product is

p-Xylenol Blue is a carbon-based organic compound with CAS registry number 125-31-5 and molecular formula C23H22O5S (molecular weight 410.5), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 125-31-5

Its molecular formula C23H22O5S comprises 23 C, 22 H, 5 O, 1 S atoms.

Also known as: p-Xylenol Blue · Xylenol Blue

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of p-Xylenol Blue?

The CAS registry number of p-Xylenol Blue is 125-31-5.

What is the molecular formula and molecular weight of p-Xylenol Blue?

Molecular formula C23H22O5S, molecular weight 410.5.

What other names is p-Xylenol Blue known by?

It is also registered under: p-Xylenol Blue, Xylenol Blue.

What are the documented applications of p-Xylenol Blue?

Recorded applications: General Manufacturing Information: Phenol, 4, 4'-(1, 1-dioxido-3H-2, 1-benzoxathiol-3-ylidene)bis[2, 5-dimethyl-: ACTIVE.

Which category does p-Xylenol Blue belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for p-Xylenol Blue (CAS 125-31-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	2.2% (1 / 46)
Reported hazard statements	H315 (97.8%), H319 (97.8%), H335 (95.7%)

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]

Regulatory listings

GHS notification summary	2.2% (1 / 46)

Physical description and handling notes

198.0 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8026303]
194.4 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8026303]
200.6 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8026303]
194.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8026303]

How this substance is indexed

CAS Registry Number	125-31-5
PubChem CID	67172
分子式	C23H22O5S
IUPAC 名称	4-[3-(4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,5-dimethylphenol
UNII（FDA）	BRA8Z80WK7

Documented uses

Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,5-dimethyl-: ACTIVE

Names this substance appears under

Xylenol Blue; p-Xylenol Blue; 125-31-5; p-Xylenolsulfonephthalein; p-Xylenolsulfonphthalein; p-Xylenesulfonephthalein; p-Xylenolsulfophthalein; 1,4-Dimethyl-5-hydroxybenzenesulfonphthalein; DTXSID8026303; UNII-BRA8Z80WK7; EINECS 204-736-5; 1,4-dimethyl-5-hydroxybenzenesulfonephthalein; BRA8Z80WK7; NSC 10471; NSC-10471; XYLENOL BLUE, P-

Computed molecular descriptors

分子量	410.5
XLogP3	4.5
氢键供体数	2
氢键受体数	5
可旋转键数	2
精确质量	410.11879497
单同位素质量	410.11879497
拓扑极性表面积	92.2
重原子数	29
形式电荷	0

Database abstract

p-Xylenol Blue · CAS 125-31-5 · C23H22O5S. UNII BRA8Z80WK7.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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