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o-Cresolphthalein complexone

o-Cresolphthalein complexone structure

CAS No:
2411-89-4
Formula:
C32H32N2O12
Chemical Name:
o-Cresolphthalein complexone
Synonyms:
Glycine,N,N′-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-;Phenolphthalein,3′,3′′-bis[[bis(carboxymethyl)amino]methyl]-5′,5′′-dimethyl-;N,N′-[(3-Oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)glycine];Cresolphthalein complexon;o-Cresolphthalein complexon;Cresolphthalexon;o-Cresolphthalexon;3,3′-Bis[N,N-di(carboxymethyl)aminomethyl]-o-cresolphthalein;o-Cresolphthalein complexone;Phthalein complexone;o-Cresolphthalexone;3,3′-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolphthalein;NSC 298195;2-[[5-[1-[3-[[Carboxylatomethyl(carboxymethyl)azaniumyl]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)azaniumyl]acetate
Categories:
Biochemical Engineering > Biochemical Reagents

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Description

White powder

o-Cresolphthalein complexone Basic Attributes

Molecular Weight：

636.6

Exact Mass：

636.60

BRN：

381994

EC Number：

219-318-8

UNII：

A4P6737I7F

NSC Number：

298195

DSSTox ID：

DTXSID5062392

HScode：

29322980

Characteristics

PSA：

222.44000

XLogP3：

2.13

Appearance：

white to off-white Powder

Density：

1.5±0.1 g/cm3

Melting Point：

181-185 °C (dec.)(lit.)

Boiling Point：

892.1±65.0 °C at 760 mmHg

Flash Point：

493.4±34.3 °C

Refractive Index：

1.678

Water Solubility：

H2O: SLIGHTLY soluble ;NaOH: soluble 50mg/mL

Storage Conditions：

Store at RT.

Vapor Pressure：

3.5E-34mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3261 8/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

22-24/25-36-26

RTECS Number：

SZ5462500

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Drug Information

MeSH Entry Terms：

2-cresolphthalexon

o-Cresolphthalein complexone Use and Manufacturing

Uses

Complex titration indicator, determination of calcium, strontium, barium, magnesium and cadmium

Manufacturing Info：

Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-: ACTIVE

Computed Properties

Molecular Weight:636.6
XLogP3:-2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:14
Exact Mass:636.19552446
Monoisotopic Mass:636.19552446
Topological Polar Surface Area:222
Heavy Atom Count:46
Complexity:1050
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of o-Cresolphthalein complexone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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o-Cresolphthalein complexone

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