Basic information
- CAS
33930-63-1- Standard SMILES
Cn1cc(Br)c2ccccc2c1=O- InChIKey
YCYRWLPOFCNZPY-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO
- Average molar mass
- 238.08 g/mol
- Monoisotopic mass
- 236.97893
Names & identifiers
- Preferred name
- 4-Bromo-2-methylisoquinolin-1(2H)-one
- IUPAC
- 4-bromo-2-methylisoquinolin-1-one
- English name
- 4-bromo-2-methyl-isoquinolin-1-one
- Molecular formula
- C10H8BrNO
- Molecular weight
- 238.08
Names & synonyms
4-Bromo-2-methylisoquinolin-1(2H)-one33930-63-1DTXSID30309871RefChem:1070395DTXCID702609974-bromo-2-methylisoquinolin-1-one4-bromo-2-methyl-isoquinolin-1-oneMFCD004891334-bromo-2-methyl-1,2-dihydroisoquinolin-1-one4-BROMO-2-METHYL-2H-ISOQUINOLIN-1-ONE1(2H)-Isoquinolinone, 4-bromo-2-methyl-NSC218343
Show more names
4-Bromo-2-methylisoquinolin-1(2H)4-Bromo-2-methyl-1(2H)-isoquinolinone
Oprea1_686742SCHEMBL16651641SCHEMBL29613217YCYRWLPOFCNZPY-UHFFFAOYSA-NAKOS015919933CS-W018933FS-3048NSC 218343
Database identifiers
- CAS
33930-63-1- PubChem CID
- 311858
- DTXSID
DTXSID30309871
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 129 · 129-130 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 345.8 · 345.8±42.0 °C(Predicted)
- Density
- 1.592 · 1.592±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -3.97 · -3.97±0.70(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers49 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Related reactions
8 records
Compound notes
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