38238

NIR 6e

BioChemika

• Synonym(s): 4,5-Benzo-11-chloro-1-(3-isothiocyanatopropyl)-1′-(4-sulfobutyl)-3,3,3′,3′-tetramethyl-10,12-trimethylenindotricarbocyanine bromide sodium salt
• Empirical Formula (Hill Notation): C₄₂H₄₆BrClN₃NaO₃S₂
• Molecular Weight: 843.31
• MDL number: MFCD22200856
• UNSPSC Code: 41100000
• PubChem Substance ID: 329755754

Properties

• product line: BioChemika
• form: solid
• storage temp.: 2-8°C
• SMILES string: [Na+].[Br-].CC1(C)/C(=C\C=C2/CCCC(\C=C\C3=[N+](CCCN=C=S)c4ccc5ccccc5c4C3(C)C)=C2Cl)N(CCCCS([O-])(=O)=O)c6ccccc16
• InChI: 1S/C42H46ClN3O3S2.BrH.Na/c1-41(2)34-17-7-8-18-35(34)45(26-9-10-28-51(47,48)49)37(41)23-20-31-14-11-15-32(40(31)43)21-24-38-42(3,4)39-33-16-6-5-13-30(33)19-22-36(39)46(38)27-12-25-44-29-50;;/h5-8,13,16-24H,9-12,14-15,25-28H2,1-4H3;1H;/q;;+1/p-1
• InChI key: VSBRZIPYZGZFQR-UHFFFAOYSA-M

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)