Basic information
- CAS
1070879-58-1- Standard SMILES
Cc1cc(Br)c2cccc(C(F)(F)F)c2n1- InChIKey
VJVRBBWVMROPSN-UHFFFAOYSA-N- Molecular formula
- C11H7BrF3N
- Average molar mass
- 290.08 g/mol
- Monoisotopic mass
- 288.9714
Names & identifiers
- Preferred name
- 4-Bromo-2-methyl-8-(trifluoromethyl)quinoline
- IUPAC
- 4-bromo-2-methyl-8-(trifluoromethyl)quinoline
- English name
- 4-BROMO-2-METHYL-8-TRIFLUOROMETHYLQUINOLINE
- Molecular formula
- C11H7BrF3N
- Molecular weight
- 290.08
Names & synonyms
1070879-58-14-bromo-2-methyl-8-(trifluoromethyl)quinolineDTXSID50653707RefChem:290763DTXCID106044574-Bromo-2-methyl-8-trifluoromethylquinolineMFCD11505142SCHEMBL30018810AKOS022889602SB69126CS-04403674-Bromo-2-methyl-8-trifluoromethylquinoline, AldrichCPR
Show more names
Quinoline, 4-bromo-2-methyl-8-(trifluoromethyl)-
Database identifiers
- CAS
1070879-58-1- PubChem CID
- 39346151
- DTXSID
DTXSID50653707- EC Number
- 802-640-3
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 308.8 · 308.8±37.0 °C(Predicted)
- Density
- 1.587 · 1.587±0.06 g/cm3(Predicted)
- pka
- 1.92 · 1.92±0.50(Predicted)
- form
- powder
- color
- Dark yellow
- InChI
- 1S/C11H7BrF3N/c1-6-5-9(12)7-3-2-4-8(10(7)16-6)11(13,14)15/h2-5H,1H3
- InChIKey
- VJVRBBWVMROPSN-UHFFFAOYSA-N
- SMILES
- Cc1cc(Br)c2cccc(c2n1)C(F)(F)F
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H318
- Precautionary statements
- 280 · P280-P301+P310-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 25 · 25-41
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]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, 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
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933499090
- risk_code
- 25-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T
- safety_code
- 26-39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H318
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P280-P301+P310-P305+P351+P338
Chemistry & industry
Suppliers2 total
Aladdin Scientific[email protected]
上海安米克化学品有限公司微信：18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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