Name: XYLENOL ORANGE
SKU: 1611-35-4

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Basic Information

Molecular Structure:
CAS No.:	1611-35-4
Name:	XYLENOL ORANGE

Formula:	C31H32 N2 O13 S
Molecular Weight:	672.667
Synonyms:	Aceticacid, [(a-hydroxy-o-sulfobenzylidene)bis[(6-hydroxy-5-methyl-m-phenylene)methylenenitrilo]]tetra-,g-sultone (7CI);Acetic acid,[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-m-phenylene)methylenenitrilo]]tetra-,S,S-dioxide (8CI);Glycine, N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-,S,S-dioxide;Phenolsulfonephthalein,3',3''-bis[[bis(carboxymethyl)amino]methyl]-5',5''-dimethyl- (6CI);Cresol Phthalexon S;NSC 324982;XylenolOrange;o-Cresolphthalexon S;Xylenol orange;
EINECS:	216-553-8
Density:	1.564 g/cm³
Melting Point:	72-76 °C(lit.)
Boiling Point:	895.1 °C at 760 mmHg
Flash Point:	495.1 °C
Appearance:	BROWN CRYSTALS, POWDER OR XTAL PWD
Hazard Symbols:	Xn
Risk Codes:	22-41-43
Safety:	26-39
PSA:	247.89000
LogP:	2.74860

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Chemistry

IUPAC Name: 2-[[5-[3-[3-[[Bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxobenzo[c]oxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
Molecular Formula: C₃₁H₃₂N₂O₁₃S
Molecular Weight: 672.66
EINECS: 216-553-8
Density: 1.564 g/cm³
Melting Point: 72-76 °C(lit.)
Boiling Point: 895.1 °C at 760 mmHg
Flash Point: 495.1 °C
Freely Rotating Bonds: 16
Polar Surface Area: 181.89 Å²
Index of Refraction: 1.678
Molar Refractivity: 162.29 cm³
Molar Volume: 430 cm³
Polarizability: 64.33 ×10^-24 cm³
Surface Tension: 82.8 dyne/cm
Enthalpy of Vaporization: 136.3 kJ/mol
Vapour Pressure: 1.97E-34 mmHg at 25°C
Solubility: 200 mg/mL in water
The Cas Register Number of Xylenol orange is 1611-35-4.The chemical synonyms of Xylenol orange (CAS NO.1611-35-4) are 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 ; 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 ; Cresol Phthalexon S ; 3,3'-Bis(N,N-di-(carboxymethyl)aminomethyl)cresolsulfonephthalein ; 3,3'-Bis[N, N-di-(carboxymethyl)aminomethyl]cresolsulfonephthalein ; 5',5"-bis((bis(carboxymethyl)amino)methyl)-o-cresolsulfophthal ; Acetic acid, (3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-m-phenylene)methylenenitrilo))tetra-, S,S-dioxide (8CI) ; Glycine, N, N'-[[hydroxy(2-sulfophenyl)methylene]bis[(6-hydroxy-5-methyl-3, 1-phenylene)methylene]]bis[N-(carboxymethyl)-, .gamma.-sultone ; Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)- ; Glycine, N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, S,S-dioxide ; m-Cresolphthalexon S ; N,N'-(3H-2,1-Benzoxathiol-3-ylidenebis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxy methyl)glycine) S,S-dioxide ; o-Cresolphthalexon S ; Xylenol orange .The molecular structure of Xylenol orange (CAS NO.1611-35-4) is.

Uses

Xylenol orange (CAS NO.1611-35-4) is used as determination indicator of acid-base and bismuth, thorium, lead, cobalt, copper, iron, aluminum complex indicator .

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 23/24/25-36/38-36/37/38
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R36/38: Irritating to eyes and skin.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-45-36/37-26-22-36
S24/25: Avoid contact with skin and eyes.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37: Wear suitable protective clothing and gloves.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3