(2Z)-6-Benzyl-2-(3-nitrobenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
Basic information
- CAS
463364-65-0- Standard SMILES
O=c1nc2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2nc1Cc1ccccc1- InChIKey
RUYMXFFGXGRVFQ-LFIBNONCSA-N- Molecular formula
- C19H12N4O4S
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.05792605
Names & identifiers
- Preferred name
- (2Z)-6-Benzyl-2-(3-nitrobenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione
- IUPAC
- (2E)-6-benzyl-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
- English name
- SALOR-INT L430153-1EA
- Molecular formula
- C19H12N4O4S
- Molecular weight
- 392.39
Names & synonyms
463364-65-0RefChem:399167(2Z)-6-Benzyl-2-(3-nitrobenzylidene)-7H-(1,3)thiazolo(3,2-B)(1,2,4)triazine-3,7(2H)-dione(2Z)-6-benzyl-2-(3-nitrobenzylidene)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione645-846-76-Benzyl-2-(3-nitrobenzylidene)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dioneZINC13584014MFCD01530829STK876893AKOS005614346(2E)-6-benzyl-2-[(3-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dioneZINC000013584014
Show more names
SALOR-INT L430153-1EA7H-Thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, 2-[(3-nitrophenyl)methylene]-6-(phenylmethyl)-
SR-01000251871SR-01000251871-1O=c1nc2sc(=Cc3cccc(c3)(N+)(=O)(O))c(=O)n2nc1Cc1ccccc1(E)6benzyl2(3nitrobenzylidene)2Hthiazolo(32b)(124)triazine37dione6BENZYL2(3NITROBENZYLIDENE)2HTHIAZOLO(32B)(124)TRIAZINE37DIONE(2E)6BENZYL2((3NITROPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE(2E)6benzyl2(3nitrobenzylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione(E)-6-benzyl-2-(3-nitrobenzylidene)-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 779
Physicochemical properties
- Boiling point
- 581.9 · 581.9±60.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- -2.94 · -2.94±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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
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
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-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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