Basic information
- CAS
52610-09-0- Standard SMILES
O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1- InChIKey
KARQWNJBJZMXNE-UHFFFAOYSA-N- Molecular formula
- C11H10Cl2N4O6S2
- Average molar mass
- 429.3 g/mol
- Monoisotopic mass
- 427.9418818
Names & identifiers
- Preferred name
- 2-((4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)phenyl)sulphonyl)ethyl hydrogen sulphate
- IUPAC
- 2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]sulfonylethyl hydrogen sulfate
- English name
- 2-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]sulphonyl]ethyl hydrogen sulphate
- Molecular formula
- C11H10Cl2N4O6S2
- Molecular weight
- 429.26
Names & synonyms
EINECS 258-042-22-((4-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)phenyl)sulphonyl)ethyl hydrogen sulphate2-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]sulphonyl]ethyl hydrogen sulphateRefChem:448420258-042-252610-09-02-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)phenyl)sulfonyl)ethyl hydrogen sulfate2-({4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl}sulfonyl)ethyl hydrogen sulfateSCHEMBL12147044DTXSID00967043KARQWNJBJZMXNE-UHFFFAOYSA-NDB-226984
Show more names
Sulfuric acid 2-[4-(4,6-dichloro-1,3,5-triazine-2-ylamino)phenylsulfonyl]ethyl esterSulfuric acid 2-[[4-[(4,6-dichloro-1,3,5-triazine-2-yl)amino]phenyl]sulfonyl]ethyl esterEthanol, 2-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]sulfonyl]-, 1-(hydrogen sulfate)Sulfuric acid hydrogen 2-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]sulfonyl]ethyl ester
NS000580612-{4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]benzene-1-sulfonyl}ethyl hydrogen sulfate
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 620
Physicochemical properties
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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