| CAS Number | 36402-77-4 |
| Catalog Number | AG003O4I(AGN-PC-0RC6PE) |
| Chemical Name | Benzyl Orange |
| IUPAC Name | sodium;4-[[4-(benzylamino)phenyl]diazenyl]benzenesulfonate |
| InChI | InChI=1S/C19H17N3O3S.Na/c23-26(24,25)19-12-10-18(11-13-19)22-21-17-8-6-16(7-9-17)20-14-15-4-2-1-3-5-15;/h1-13,20H,14H2,(H,23,24,25);/q;+1/p-1 |
| InChI Key | JGCBNZLRTUKUAQ-UHFFFAOYSA-M |
| MDL Number | MFCD00198097 |
| Molecular Formula | C19H16N3NaO3S |
| Molecular Weight | 389.4034 |
| SMILES | [Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)N=NC1=CC=C(NCC2=CC=CC=C2)C=C1 |
| Synonyms | benzyl orange,
Benzyl orange,
36402-77-4,
BENZYLORANGE,
Benzyl Orange, AldrichCPR,
MFCD00198097,
ACM36402774,
I14-92628,
sodium (E)-4-((4-(benzylamino)phenyl)diazenyl)benzenesulfonate,
4-[[4-[(Phenylmethyl)amino]phenyl]azo]benzenesulfonic acid sodium salt,
B0425,
|
| Complexity | 545 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.405g/mol |
| Monoisotopic Mass | 389.081g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number