3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-methyl-
Basic information
- CAS
108132-88-3- Standard SMILES
Cn1c(-c2ccc3c(c2)OCO3)n[nH]c1=O- InChIKey
QWYJYHUAIBWZQX-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439116
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-methyl-
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-4-methyl-1H-1,2,4-triazol-5-one
- English name
- 2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-methyl-3H-1,2,4-triazol-3-one
- Molecular formula
- C10H9N3O3
- Molecular weight
- 219.2
Names & synonyms
108132-88-3BRN 59542323H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-4-methyl-2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-4-methyl-3H-1,2,4-triazol-3-one3-(1,3-dioxaindan-5-yl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-oneDTXSID70148428RefChem:505595DTXCID3070919833-350-53-(1,3-benzodioxol-5-yl)-4-methyl-1H-1,2,4-triazol-5-one3H-1,2,4-Triazol-3-one,5-(1,3-benzodioxol-5-yl)-2,4-dihydro-4-methyl-3-(Benzo[d][1,3]dioxol-5-yl)-4-methyl-1H-1,2,4-triazol-5(4H)-one
Show more names
3H-1,2,4-Triazol-3-one, 5-(1,3-benzodioxol-5-yl)-2,4-dihydro-4-methyl-
IEA13288EN300-6736316Z20500426005-(2H-1,3-Benzodioxol-5-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- CAS
108132-88-3- PubChem CID
- 3065481
- DTXSID
DTXSID70148428- EC Number
- 833-350-5
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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Compound notes
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