Basic information
- CAS
206258-97-1- Standard SMILES
CCOC(=O)c1cnc2c(Br)cccc2c1Cl- InChIKey
MLHAFVCMBUQWKC-UHFFFAOYSA-N- Molecular formula
- C12H9BrClNO2
- Average molar mass
- 314.56 g/mol
- Monoisotopic mass
- 312.95051831
Names & identifiers
- Preferred name
- Ethyl 8-bromo-4-chloroquinoline-3-carboxylate
- IUPAC
- ethyl 8-bromo-4-chloroquinoline-3-carboxylate
- English name
- 8-Bromo-4-chloroquinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C12H9BrClNO2
- Molecular weight
- 314.56
Names & synonyms
Ethyl 8-bromo-4-chloroquinoline-3-carboxylate206258-97-1MFCD001733853-Quinolinecarboxylic acid, 8-bromo-4-chloro-, ethyl ester8-Bromo-4-chloroquinoline-3-carboxylic acid ethyl ester8-Bromo-4-chloro-quinoline-3-carboxylic acid ethyl esterEthyl8-bromo-4-chloroquinoline-3-carboxylateEthyl 8-bromo-4-chloro-quinoline-3-carboxylateOprea1_849231SCHEMBL6293263DTXSID40392315MLHAFVCMBUQWKC-UHFFFAOYSA-N
Show more names
CAS:206258-97-1Ethyl 4-chloro-8-broMoquinoline-3-carboxylateEthyl8-bromo-4-chloroquinoline-3-carboxylate,97%ethyl 8-bromo-4-chloroquinoline-3-carboxylate - [E5351]8-Bromo-4-chloro-3-quinolinecarboxylic acid ethyl ester
SC1871AKOS000196330SB21146SY034287DB-066266CS-00974956J-024F091750
Database identifiers
- CAS
206258-97-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C12H9BrClNO2/c1-2-17-12(16)8-6-15-11-7(10(8)14)4-3-5-9(11)13/h3-6H,2H2,1H3
- InChIKey
- MLHAFVCMBUQWKC-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=CC=2Br)C(Cl)=C(C(OCC)=O)C=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- WGK Germany
- 3 · 3
- HS Code
- 2933499090 · 2933499090
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers55 total
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]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited
Related reactions
2 records
Compound notes
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