8-Bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline
Basic information
- CAS
1780581-08-9- Standard SMILES
Fc1ccc2c(c1Br)CNCC2- InChIKey
DRDJZKIRJUTAER-UHFFFAOYSA-N- Molecular formula
- C9H9BrFN
- Average molar mass
- 230.08 g/mol
- Monoisotopic mass
- 228.99024
Names & identifiers
- Preferred name
- 8-Bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 8-bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline
- English name
- Isoquinoline, 8-bromo-7-fluoro-1,2,3,4-tetrahydro-
- Molecular formula
- C9H9BrFN
- Molecular weight
- 230.08
Names & synonyms
8-Bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline1780581-08-9RefChem:547824874-475-5SCHEMBL29168702FWC58108AT26498EN300-313798Isoquinoline, 8-bromo-7-fluoro-1,2,3,4-tetrahydro-
Database identifiers
- CAS
1780581-08-9- PubChem CID
- 84693243
- EC Number
- 874-475-5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 285.4 · 285.4±40.0 °C(Predicted)
- Density
- 1.506 · 1.506±0.06 g/cm3(Predicted)
- pka
- 8.25 · 8.25±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-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
- H335-H302-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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