4-Bromo-8-fluoro-2-methylquinoline
Basic information
- CAS
1070879-49-0- Standard SMILES
Cc1cc(Br)c2cccc(F)c2n1- InChIKey
XETQAKPBSIDNFG-UHFFFAOYSA-N- Molecular formula
- C10H7BrFN
- Average molar mass
- 240.07 g/mol
- Monoisotopic mass
- 238.97459
Names & identifiers
- Preferred name
- 4-Bromo-8-fluoro-2-methylquinoline
- IUPAC
- 4-bromo-8-fluoro-2-methylquinoline
- English name
- 4-Bromo-8-fluoro-2-methylquinoline
- Molecular formula
- C10H7BrFN
- Molecular weight
- 240.07
Names & synonyms
4-Bromo-8-fluoro-2-methylquinoline1070879-49-0DTXSID20653698RefChem:291018DTXCID20604448MFCD11505134SCHEMBL165063984-bromo-8-fluoro-2-methyl-quinolineAKOS022889569SB69282DB-412435CS-0366779
Show more names
Quinoline, 4-bromo-8-fluoro-2-methyl-
4-Bromo-8-fluoro-2-methylquinoline, AldrichCPR
Database identifiers
- CAS
1070879-49-0- PubChem CID
- 39346142
- DTXSID
DTXSID20653698- EC Number
- 802-647-1
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 304.4 · 304.4±37.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- pka
- 1.13 · 1.13±0.50(Predicted)
- form
- solid
- InChI
- 1S/C10H7BrFN/c1-6-5-8(11)7-3-2-4-9(12)10(7)13-6/h2-5H,1H3
- InChIKey
- XETQAKPBSIDNFG-UHFFFAOYSA-N
- SMILES
- Cc1cc(Br)c2cccc(F)c2n1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
- WGK Germany
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]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, 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. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933499090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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