Basic information
- CAS
463959-52-6- Standard SMILES
CC(=O)Oc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)cc1- InChIKey
YVFJQTJXLZGECB-PDGQHHTCSA-N- Molecular formula
- C21H15N3O4S
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.07832714
Names & identifiers
- Preferred name
- 4-[(Z)-(6-Benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-B][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate
- IUPAC
- [4-[(Z)-(6-benzyl-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl]phenyl] acetate
- English name
- SALOR-INT L430218-1EA
- Molecular formula
- C21H15N3O4S
- Molecular weight
- 405.43
Names & synonyms
4-[(Z)-(6-benzyl-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene)methyl]phenyl acetate4-((Z)-(6-BENZYL-3,7-DIOXO-7H-(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZIN-2(3H)-YLIDENE)METHYL)PHENYL ACETATERefChem:510010463959-52-6645-850-9STK814542AKOS001705769SR-01000112392SR-01000112392-1SALOR-INT L430218-1EA
Database identifiers
- CAS
463959-52-6- PubChem CID
- 5927240
- EC Number
- 645-850-9
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 790
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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