Lissamine rhodamine B sulfonyl chloride
Basic information
- CAS
62796-29-6- Standard SMILES
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)Cl)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1- InChIKey
YERWMQJEYUIJBO-UHFFFAOYSA-N- Molecular formula
- C27H29ClN2O6S2
- Average molar mass
- 577.1 g/mol
- Monoisotopic mass
- 576.1155567
Names & identifiers
- Preferred name
- Lissamine rhodamine B sulfonyl chloride
- IUPAC
- 5-chlorosulfonyl-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzenesulfonate
- English name
- LISSAMINE RHODAMINE B SULFONYL CHLORIDE
- Molecular formula
- C27H29ClN2O6S2
- Molecular weight
- 577.11
Names & synonyms
62796-29-6Lissamine rhodamine B sulfonyl chlorideRefChem:153662263-735-8Sulforhodamine B acid chlorideC27H29ClN2O6S25-chlorosulfonyl-2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzenesulfonateMFCD000420012-(3,6-bis(diethylamino)xanthylium-9-yl)-5-(chlorosulfonyl)benzenesulfonate9-[4-(chlorosulphonyl)-2-sulphonatophenyl]-3,6-bis(diethylamino)xanthylium2-[3,6-Bis(diethylamino)xanthylium-9-yl]-5-(chlorosulfonyl)benzenesulfonate9-(4-(Chlorosulphonyl)-2-sulphonatophenyl)-3,6-bis(diethylamino)xanthylium
Show more names
SRBSCLRB-SCSRB sulfonyl chloride[known as Lissamine™rhodamine B sulfonyl chlorideSULFORHODAMINE B SULFONYL CHLORIDELISSAMINE(R) RHODAMINE B SULFONYL CHLORIDELISSAMINE(TM) RHODAMINE B SULFONYL CHLORIDE
EINECS 263-735-8Xanthylium, 9-(4-(chlorosulfonyl)-2-sulfophenyl)-3,6-bis(diethylamino)-, inner saltSulforhodamineBacidchlorideSulforhodamine BacidchlorideXanthylium, 9-[4-(chlorosulfonyl)-2-sulfophenyl]-3,6-bis(diethylamino)-,inner saltSCHEMBL838400orb1705428SCHEMBL2936465
Database identifiers
- CAS
62796-29-6- PubChem CID
- 65223
- DTXSID
DTXSID20978459- EC Number
- 263-735-8
- Nikkaji
- J307.134K、J745.707C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,170
Physicochemical properties
- Density
- 1.1576 · 1.1576 (rough estimate)
- refractive index
- 1.61 · 1.6100 (estimate)
- storage temp.
- 20 °C · −20°C
- form
- powder
- color
- black
- BRN
- 7734927 · 7734927
- InChI
- 1S/C27H29ClN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(28,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3
- InChIKey
- YERWMQJEYUIJBO-UHFFFAOYSA-N
- SMILES
- CCN(CC)c1ccc2c(OC3=C\C(C=CC3=C2c4ccc(cc4S([O-])(=O)=O)S(Cl)(=O)=O)=[N+](/CC)CC)c1
- CAS DataBase Reference
- 62796 · 62796-29-6
- EPA Substance Registry System
- 9 · Xanthylium, 9-[4-(chlorosulfonyl)-2-sulfophenyl]-3,6-bis(diethylamino)-, inner salt (62796-29-6)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 7 · GHS07
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
Warning
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 156 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Safety data
- F
- 8-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 32041300
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationXanthylium, 9-[4-(chlorosulfonyl)-2-sulfophenyl]-3,6-bis(diethylamino)-, inner salt: INACTIVE
Applications
UsesSulforhodamine B acid chloride has been used to synthesize rhodamine-labeled polycation (PLL-ROD). It has also been used in fluorescent protein tracer preparation.', 'Fluorescent protein label forming stable conjugates
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…