CAS 1611-35-4|Xylenol orange

Introduction：Basic information about CAS 1611-35-4|Xylenol orange, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Synonyms

Common Name	Xylenol orange
CAS Number	1611-35-4	Molecular Weight	672.656
Density	1.6±0.1 g/cm3	Boiling Point	895.1±65.0 °C at 760 mmHg
Molecular Formula	C₃₁H₃₂N₂O₁₃S	Melting Point	222ºC
MSDS	USA	Flash Point	495.1±34.3 °C

Names

Name	Xylenol Orange disodium salt
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.6±0.1 g/cm3
Boiling Point	895.1±65.0 °C at 760 mmHg
Melting Point	222ºC
Molecular Formula	C₃₁H₃₂N₂O₁₃S
Molecular Weight	672.656
Flash Point	495.1±34.3 °C
Exact Mass	672.162537
PSA	247.89000
LogP	2.52
Vapour Pressure	0.0±0.3 mmHg at 25°C
Index of Refraction	1.679
InChIKey	ORZHVTYKPFFVMG-UHFFFAOYSA-N
SMILES	Cc1cc(C2(c3cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c3)OS(=O)(=O)c3ccccc32)cc(CN(CC(=O)O)CC(=O)O)c1O
Storage condition	-20°C
Water Solubility	Solubility Soluble in water, ethanol

Safety Information

Hazard Codes	Xn: Harmful;
Risk Phrases	R22
Safety Phrases	26-39
WGK Germany	3
HS Code	29349990

Synonyms

MFCD00014580

2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ<sup>6</sup>-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid

2,2',2'',2'''-{(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methylbenzene-3,1-diyl)methanediylnitrilo]}tetraacetic acid

Xylenol Orange

2,2',2'',2'''-{(1,1-Dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylenenitrilo]}tetraacetic acid

Cresol Phthalexon S

EINECS 216-553-8

3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolsulfonphthalein Disodium Salt

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