C.I. Direct Blue 14

HCID 6296

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 72-57-1
Standard SMILES: Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O.[Na+].[Na+].[Na+].[Na+]
InChIKey: GLNADSQYFUSGOU-UHFFFAOYSA-J
Molecular formula: C34H24N6Na4O14S4
Average molar mass: 960.8 g/mol
Monoisotopic mass: 959.9824113

Overview

Trypan Blue (Commercial Grade) can cause cancer according to California Labor Code.

Names & identifiers

Preferred name: C.I. Direct Blue 14
IUPAC: tetrasodium;5-amino-3-[[4-[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
English name: Trypan Blue
Molecular formula: C34H24N6Na4O14S4
Molecular weight: 960.81

Names & synonyms

C.I. Direct Blue 14DTXSID4026268DTXCID006268RefChem:1080556TRYPAN BLUEDirect Blue 1472-57-1Diphenyl BlueNiagara BlueBenzamine BlueDianil blueBenzo Blue

Show more names

Trypan Blue solutiontrypanblue3bblueembparkipanCI 23850benzobluecongobluencic61289

Congo BlueNaphthylamine BlueVisionBlueDiamine BlueNiagara Blue 3Btrypan-blueDiamineblueDianilblau

Database identifiers

CAS: 72-57-1
PubChem CID: 6296
DTXSID: DTXSID4026268
ChEMBL: CHEMBL177987
ChEBI: CHEBI:78897
UNII: I2ZWO3LS3M

Properties

Computed structural properties

Topological polar surface area: 404 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 20
Rotatable bonds: 5
Heavy atoms: 62
Formal charge: 0
Complexity: 1,790

Experimental & physicochemical properties

Human DrugsBreast Feeding; Lactation; Milk, Human; Azo Compounds

Physicochemical properties

Melting point: 300 °C · >300 °C (lit.)
Density: 1.007 g/mL · 1.007 g/mL at 20 °C
bulk density: 800 kg/m3 · 800kg/m3
storage temp.: dry at room temperature
solubility: 2 O: · H2O: soluble10mg/mL
Colour Index: 23850 · 23850
form: Powder
color: Dark greenish-brown
PH: 9.8 · 9.8 (10g/l, H2O, 20℃)
Water Solubility: 10 g/L · 10 g/L (25 ºC)
λmax: 607 nm · 607 nm
ε(extinction coefficient): 60000 at · ≥60000 at 603-607nm in methanol at 0.01g/L60000 at 603-607nm in methanol
Merck: 14 · 14,9792
BRN: 4360496 · 4360496
Stability: Stable. Incompatible with strong oxidizing agents.
Major Application: cell analysis
InChIKey: GLNADSQYFUSGOU-UHFFFAOYSA-J
SMILES: [Na+].[Na+].[Na+].[Na+].Cc1cc(ccc1N=Nc2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)-c4ccc(N=Nc5c(O)c6c(N)cc(cc6cc5S([O-])(=O)=O)S([O-])(=O)=O)c(C)c4
CAS DataBase Reference: 72 · 72-57-1(CAS DataBase Reference)
FDA UNII: 2 ZWO3LS3M · I2ZWO3LS3M
Proposition 65 List: Trypan Blue (Commercial Grade)
IARC: 2 B · 2B (Vol. 8, Sup 7) 1987
EPA Substance Registry System: Trypan blue (72-57-1)
UNSPSC Code: 41116130 · 41116130
NACRES: 75 · NA.75
Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 350 · H350
Precautionary statements: 201 · P201-P202-P280-P308+P313-P405-P501
PPE: 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: T,Xi
Risk Statements: 45 · 45-41-37/38-36/37/38-22
Safety Statements: 53 · 53-45-36/37/39-36-26
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
RTECS: 6475000 · QJ6475000
TSCA: TSCA listed
HS Code: 32041400 · 32041400
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 1 B · Carc. 1B
Hazardous Substances Data: 72 · 72-57-1(Hazardous Substances Data)
Toxicity: 100 i.v · LD100 i.v. in rats: 300 mg/kg (Anderson)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationC.I. Direct Blue 14: Does not have an individual approval but may be used under an appropriate group standard

Toxicology

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

Safety data

PPE: Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: QJ6475000
ridadr: 2811
hs_code: 32041400
Toxicity: LD100 i.v. in rats: 300 mg/kg (Anderson)
risk_code: 45-41-37/38-36/37/38-22
Signal word: Danger
Symbol(GHS): GHS08
hazard_code: T,Xi
safety_code: 53-45-36/37/39-36-26
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H350
Hazard Classifications: Carc. 1B
Precautionary statements: P201-P202-P280-P308+P313-P405-P501
Hazardous Substances Data: 72-57-1(Hazardous Substances Data)

Chemistry & industry

Applications · 3 items

UsesTrypan Blue is an azo based, hydrophilic, tetrasulfonated blue acid dye widely utilized for assessing cell viability. As an easy method to determining the viability of cells, Trypan Blue will stain dead cells with permeable membranes blue, while the dye is excluded by most living cells and their intact membranes thereby allowing visual determination of living versus dead cells. Although Trypan Blue is predominately used for assessing cell viability of cultured cells, other applications for this dye have been reported. In rat abdominal organ slices Trypan Blue has been utilized to determine cell viability as well as islet cell cluster cell viability from caprine pancreatic samples. Dyes and metabolites.

UsesTrypan blue has been used as a dye in trypan blue exclusion assay/cell viability assay to detect dead cells.

General DescriptionBluish-gray to dark blue powder.

Preparation methods

Preparation3,3′-Dimethylbenzidine double nitriding, in alkaline conditions and 4-Amino-5-hydroxynaphthalene-2,7-disulfonic acid(2 Moore) coupled.

Upstream & downstream products

Upstream raw materials

Sodium sulfate 8-Amino-1-naphthol-3,6-disulfonic acid monosodium salt monohydrate O-Tolidine

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

天津市光复科技发展有限公司022-85689490 13132141716 · [email protected]

Additional notes · 1 item

DefinitionChEBI: Trypan blue is an organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid). It has a role as a histological dye, a fluorochrome and a carcinogenic agent. It is an organosulfonate salt and an organic sodium salt. It contains a trypan blue(4-).

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…