Basic information
- CAS
27210-18-0- Standard SMILES
COc1cc2ccn3cnnc3c2cc1OC- InChIKey
ZTBGCDFKOGILGZ-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.0851266
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(3,4-a)isoquinoline, 8,9-dimethoxy-
- IUPAC
- 8,9-dimethoxy-[1,2,4]triazolo[3,4-a]isoquinoline
- English name
- 8,9-Dimethoxy-1,2,4-triazolo(3,4-a)isoquinoline
- Molecular formula
- C12H11N3O2
- Molecular weight
- 229.23
Names & synonyms
NC 32668,9-Dimethoxy-1,2,4-triazolo(3,4-a)isoquinoline8,9-Dimethoxy-s-triazolo(3,4-a)isoquinolineBRN 08846871,2,4-Triazolo(3,4-a)isoquinoline, 8,9-dimethoxy-DTXSID601816823-Triazolo(3,4-a)isoquinoline, 8,9-dimethoxy-RefChem:215091DTXCID001041733-Triazolo(3,4-a)isoquinoline, 8,9-dimethoxy-(8CI)667-811-527210-18-0
Show more names
1,2,4-Triazolo[3,4-a]isoquinoline, 8,9-dimethoxy-
8,9-dimethoxy-[1,2,4]triazolo[3,4-a]isoquinoline8,9-dimethoxy[1,2,4]triazolo[3,4-a]isoquinolineAKOS024338251
Database identifiers
- CAS
27210-18-0- PubChem CID
- 213872
- DTXSID
DTXSID60181682- EC Number
- 667-811-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 2.95 · 2.95±0.50(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 38 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
- 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
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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