Basic information
- CAS
61047-43-6- Standard SMILES
Cc1ccc2cccc(Br)c2n1- InChIKey
GQPRZSFQSOEDNV-UHFFFAOYSA-N- Molecular formula
- C10H8BrN
- Average molar mass
- 222.08 g/mol
- Monoisotopic mass
- 220.98401
Names & identifiers
- Preferred name
- 8-Bromo-2-methylquinoline
- IUPAC
- 8-bromo-2-methylquinoline
- English name
- 8-BROMO-2-METHYL-QUINOLINE
- Molecular formula
- C10H8BrN
- Molecular weight
- 222.08
Names & synonyms
8-Bromo-2-methylquinoline61047-43-6DTXSID40405818RefChem:106954DTXCID00356670679-565-68-Bromo-2-Methyl-Quinoline8-BromoquinaldineMFCD04966997Quinoline, 8-bromo-2-methyl-MFCD196900152-methyl-8-bromo-quinoline
Show more names
2-Methyl-8-bromoquinoline8-Bromo-2-methylquinoline >7-Trifluoromethyl-8-hydroxyquinoline8-BROMO-2-METHYL-QUINOLINE ISO 9001：2015 REACH
SCHEMBL340255AKOS000320173AB20867CS-W008274AC-22325DS-11579FB168383SY021112
Database identifiers
- CAS
61047-43-6- PubChem CID
- 4715030
- DTXSID
DTXSID40405818- EC Number
- 679-565-6
- Nikkaji
- J1.766.188D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 63 · 63-65℃
- Boiling point
- 132 °C/0.1mmHg · 132°C/0.1mmHg(lit.)
- Density
- 1.488 · 1.488
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 3.17 · 3.17±0.50(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C10H8BrN/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,1H3
- InChIKey
- GQPRZSFQSOEDNV-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2Br)C=CC=1C
- CAS DataBase Reference
- 61047 · 61047-43-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
Safety & regulation
Safety data
- hs_code
- 2933.49.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses8-Bromo-2-methylquinoline is a quinoline derivative that can be used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers99 total
河北凡博医药科技有限公司15588346797
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
18 records
Compound notes
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