二甲酚橙

Description

xylenol orange · CAS 1611-35-4 · C31H32N2O13S. UNII S2VDY878QD.

Identification

CAS Registry Number	1611-35-4
PubChem CID	73041
Molecular formula	C31H32N2O13S
IUPAC name	2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
UNII (FDA)	S2VDY878QD

Computed Descriptors

Molecular Weight	672.7
XLogP3	-2.8
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	14
Exact Mass	672.16251025
Monoisotopic Mass	672.16251025
Topological Polar Surface Area	248
Heavy Atom Count	47
Formal Charge	0

Regulatory Status

GHS notification summary	66.7% (2 / 3)

GHS Hazard Classification

GHS notification summary	66.7% (2 / 3)
Reported hazard statements	H315 (33.3%), H319 (33.3%), H335 (33.3%)

Documented Uses

• Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-: ACTIVE
• Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.

Synonyms

Xylenol orange; m-Cresolphthalexon S; o-Cresolphthalexon S; cresol phthalexon s; UNII-S2VDY878QD; S2VDY878QD; NSC-324982; EINECS 216-553-8; NSC 324982; XYLENOL ORANGE [MI]; DTXSID1061819; 3,3'-Bis(N,N-di-(carboxymethyl)aminomethyl)cresolsulfonephthalein; PHENOLSULFONEPHTHALEIN, 3',3''-BIS((BIS(CARBOXYMETHYL)AMINO)METHYL)-5',5''-DIMETHYL-; S,Sdioxide; mCresolphthalexon S; oCresolphthalexon S

Frequently Asked Questions

What are the CAS number and molecular formula of xylenol orange?

CAS 1611-35-4; molecular formula C31H32N2O13S; molecular weight — g/mol.

What other names is xylenol orange known by?

Xylenol orange, m-Cresolphthalexon S, o-Cresolphthalexon S, cresol phthalexon s, UNII-S2VDY878QD, S2VDY878QD.

Is xylenol orange classified as hazardous?

66.7% of GHS notifications report no hazard classification (2 of 3).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.