Basic information
- CAS
459418-63-4- Standard SMILES
Fc1ccc(Nc2ncnc3ccc(Br)cc23)cc1- InChIKey
RRLMZETXQWPGIY-UHFFFAOYSA-N- Molecular formula
- C14H9BrFN3
- Average molar mass
- 318.14 g/mol
- Monoisotopic mass
- 316.99639
Names & identifiers
- Preferred name
- 6-bromo-N-(4-fluorophenyl)quinazolin-4-amine
- IUPAC
- 6-bromo-N-(4-fluorophenyl)quinazolin-4-amine
- English name
- 6-BROMO-N-(4-FLUOROPHENYL)-4-QUINAZOLINAMINE
- Molecular formula
- C14H9BrFN3
- Molecular weight
- 318.14
Names & synonyms
6-bromo-N-(4-fluorophenyl)quinazolin-4-amine459418-63-4N-(6-bromo-4-quinazolinyl)-N-(4-fluorophenyl)amineC14H9BrFN3Neuro1_000059Oprea1_478014Oprea1_698163MFCD02968279STL336784AKOS002257697JS-2070CS-0268040
Show more names
AURORA 19204SALOR-INT L157589-1EA6-BROMO-N-(4-FLUOROPHENYL)-4-QUINAZOLINAMINE4-Quinazolinamine, 6-bromo-N-(4-fluorophenyl)-
ST50195144(6-bromoquinazolin-4-yl)(4-fluorophenyl)amineSR-01000247484SR-01000247484-1F3098-0997Z1192045732
Database identifiers
- CAS
459418-63-4- PubChem CID
- 709484
- EC Number
- 123-250-3
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 428 · 428.0±40.0 °C(Predicted)
- Density
- 1.619 · 1.619±0.06 g/cm3(Predicted)
- pka
- 5.16 · 5.16±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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