Basic information
- CAS
643069-46-9- Standard SMILES
COc1cccc2nccc(Br)c12- InChIKey
YVSWTMODPAGYGD-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO
- Average molar mass
- 238.08 g/mol
- Monoisotopic mass
- 236.97893
Names & identifiers
- Preferred name
- 4-Bromo-5-methoxyquinoline
- IUPAC
- 4-bromo-5-methoxyquinoline
- English name
- 4-Bromo-5-methoxyquinoline
- Molecular formula
- C10H8BrNO
- Molecular weight
- 238.08062
Names & synonyms
4-bromo-5-methoxyquinoline643069-46-9DTXSID70696095RefChem:520177DTXCID80646844102-854-04-BROMO-5-METHOXY-QUINOLINEMFCD09261096Quinoline, 4-bromo-5-methoxy-SCHEMBL3583657YVSWTMODPAGYGD-UHFFFAOYSA-NTAB06946
Show more names
7-(trifluoromethyl)-2-methylquinoline
AKOS024260552SB38102AS-30516SY108819DB-073482CS-0012679EN300-7383833F386339
Database identifiers
- CAS
643069-46-9- PubChem CID
- 53407899
- DTXSID
DTXSID70696095- EC Number
- 102-854-0
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers25 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
AN PharmaTech Co Ltd
Related reactions
2 records
Compound notes
Loading…