CAS 133978-89-9|Leuco Patent Blue Violet|4-{bis[4-(diethylamino)phenyl]methyl}benzene-1,3-disulfonic acid sodium|4-{bis[4-(diethylamino)phenyl]methyl}benzene-1,3-disulfonic acid sodium

Molecular Formula

C₂₇H₃₄N₂NaO₆S₂

Molecular Mass

569.68843

Exact Mass

569.1755981

InChI

InChI=1S/C27H34N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19,27H,5-8H2,1-4H3,(H,30,31,32)(H,33,34,35);

InChIKey

VWYZLZFZCIJHLS-UHFFFAOYSA-N

Canonic Smiles

CCN(c1ccc(cc1)C(c1ccc(cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(cc1)N(CC)CC)CC.[Na]

Isomeric Smiles

CCN(CC)c1ccc(cc1)C(c1ccc(cc1)N(CC)CC)c1ccc(cc1S(=O)(=O)O)S(=O)(=O)O.[Na]

JChem

Acid pKa

-2.4941244

H Acceptors

H Donor

LogD (pH = 5.5)

2.9846253

LogD (pH = 7.4)

1.0220461

Log P

3.4021704

Molar Refractivity

149.5354

Polarizability

57.442078

Polar Surface Area

115.22

Rotatable Bonds

Lipinski's Rule of Five

false

Commercial Catalog

Academic Data

Synonyms

Leuco Patent Blue Violet

IUPAC name

4-{bis[4-(diethylamino)phenyl]methyl}benzene-1,3-disulfonic acid sodium

IUPAC Traditional name

4-{bis[4-(diethylamino)phenyl]methyl}benzene-1,3-disulfonic acid sodium

PubChem SID

MDL Number

PubChem CID

CAS Number

Safety Information

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H315-H319-H335

European Hazard Symbols

Irritant (Xi)

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Safety Statements

26-36

GHS Precautionary statements

P261-P305+P351+P338

Risk Statements

36/37/38

German water hazard class

GHS Signal Word

Warning

Product Information

Purity

~98%

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

L1275

Application
Useful in enzyme-linked spectrophotometric determinations of hydrogen peroxide.
Other Notes
Reduced form of Patent Blue Violet

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

Synonyms

Leuco Patent Blue Violet

IUPAC name

4-{bis[4-(diethylamino)phenyl]methyl}benzene-1,3-disulfonic acid sodium

IUPAC Traditional name

4-{bis[4-(diethylamino)phenyl]methyl}benzene-1,3-disulfonic acid sodium

PubChem SID

MDL Number

PubChem CID

CAS Number

Safety Information

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H315-H319-H335

European Hazard Symbols

Irritant (Xi)

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Safety Statements

26-36

GHS Precautionary statements

P261-P305+P351+P338

Risk Statements

36/37/38

German water hazard class

GHS Signal Word

Warning

Product Information

Purity

~98%

Sigma Aldrich

L1275

Application
Useful in enzyme-linked spectrophotometric determinations of hydrogen peroxide.
Other Notes
Reduced form of Patent Blue Violet

No Data Available

Click here to submit data

Molecule

ID:130793