Basic information
- CAS
52748-86-4- Standard SMILES
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccccc2S(=O)(=O)O)cc1- InChIKey
MCKLFIWDQVFMEK-UHFFFAOYSA-N- Molecular formula
- C23H26N2O3S
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.16641387
Names & identifiers
- Preferred name
- Leucoberbelin blue I
- IUPAC
- 2-[bis[4-(dimethylamino)phenyl]methyl]benzenesulfonic acid
- English name
- LBB
- Molecular formula
- C23H26N2O3S
- Molecular weight
- 410.53
Names & synonyms
Leucoberbelin blue I52748-86-4DTXSID00328670Benzenesulfonic acid, 2-[bis[4-(dimethylamino)phenyl]methyl]-Benzenesulfonic acid, 2-(bis(4-(dimethylamino)phenyl)methyl)-RefChem:153073DTXCID20279776637-073-9MCKLFIWDQVFMEK-UHFFFAOYSA-N2-[bis[4-(dimethylamino)phenyl]methyl]benzenesulfonic acid2-(Bis(4-(dimethylamino)phenyl)methyl)benzenesulfonic acidorb2940872
Show more names
LBBLeucoberbelin
SCHEMBL13817789C23H26N2O3S2-{bis[4-(dimethylamino)phenyl]methyl}benzene-1-sulfonic acidMFCD00217522TXB-00246Leucoberbelin Blue I, Dye content 65 %H55342
Database identifiers
- CAS
52748-86-4- PubChem CID
- 413004
- DTXSID
DTXSID00328670- EC Number
- 637-073-9
- Nikkaji
- J3.493.866K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 572
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- 50 g/L · water: 50 g/L
- pka
- -0.72 · -0.72±0.30(Predicted)
- form
- powder
- Water Solubility
- 50 g/L · water: 50g/L
- λmax
- 253 nm · 253 nm
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C23H26N2O3S/c1-24(2)19-13-9-17(10-14-19)23(18-11-15-20(16-12-18)25(3)4)21-7-5-6-8-22(21)29(26,27)28/h5-16,23H,1-4H3,(H,26,27,28)
- InChIKey
- MCKLFIWDQVFMEK-UHFFFAOYSA-N
- SMILES
- CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccccc3S(O)(=O)=O
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 5 · GHS05
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesLeucoberbelin blue I has been used as a quencher in the time-resolved fluorescence QRET technique for receptor-ligand interaction screening. LBB assay is used to indicate the kinetics of Mn (II) oxides formation.
Suppliers9 total
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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