Abbott 40060
Basic information
- CAS
27022-50-0- Standard SMILES
FC(F)(F)c1nnc2c3ccccc3ccn12- InChIKey
VCCLTMGHQTUHGC-UHFFFAOYSA-N- Molecular formula
- C11H6F3N3
- Average molar mass
- 237.18 g/mol
- Monoisotopic mass
- 237.05138169
Overview
structure
Names & identifiers
- Preferred name
- Abbott 40060
- IUPAC
- 3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline
- English name
- 3-(Trifluoromethyl)-s-triazolo[3,4-a]isoquinoline
- Molecular formula
- C11H6F3N3
- Molecular weight
- 237.18
Names & synonyms
27022-50-0Abbott 40060RQ6VMJ9R7U1,2,4-Triazolo(3,4-a)isoquinoline, 3-(trifluoromethyl)-s-Triazolo(3,4-a)isoquinoline, 3-(trifluoromethyl)-DTXSID501815103-Trifluoromethyl-s-triazolo(3,4-a)-isoquinolineRefChem:551210DTXCID901040013-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline3-(Trifluoromethyl)-1,2,4-triazolo(3,4-a)isoquinolineNC 1140
Show more names
3-(Trifluoromethyl)-s-triazolo[3,4-a]isoquinoline3-(Trifluoromethyl)-1,2,4-triazolo[3,4-a]isoquinoline1,2,4-Triazolo[3,4-a]isoquinoline, 3-(trifluoromethyl)-
BRN 0615862ABBOTT-400603-(Trifluoromethyl)-s-triazolo(3,4-a)isoquinolineNC-1140UNII-RQ6VMJ9R7USCHEMBL12145402VCCLTMGHQTUHGC-UHFFFAOYSA-NAKOS024337974
Database identifiers
- CAS
27022-50-0- PubChem CID
- 198063
- DTXSID
DTXSID50181510- UNII
- RQ6VMJ9R7U
- EC Number
- 668-950-4
- Nikkaji
- J92.732E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- FDA UNII
- 6 VMJ9R7U · RQ6VMJ9R7U
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H319-H301-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H335-H319-H301-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-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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