Basic information
- CAS
59866-97-6- Standard SMILES
COC(=O)c1cccc2c(Br)cccc12- InChIKey
MGAHYBCONLQGDK-UHFFFAOYSA-N- Molecular formula
- C12H9BrO2
- Average molar mass
- 265.1 g/mol
- Monoisotopic mass
- 263.97859163
Names & identifiers
- Preferred name
- Methyl 5-bromo-1-naphthoate
- IUPAC
- methyl 5-bromonaphthalene-1-carboxylate
- English name
- 5-BROMO-NAPHTHALENE-1-CARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C12H9BrO2
- Molecular weight
- 265.1
Names & synonyms
methyl 5-bromo-1-naphthoate59866-97-6DTXSID50404236RefChem:355989DTXCID30355090methyl 5-bromonaphthalene-1-carboxylate5-BROMO-NAPHTHALENE-1-CARBOXYLIC ACID METHYL ESTERMFCD014641461-Naphthalenecarboxylic acid, 5-bromo-, methyl estermethyl5-bromo-1-naphthoatemethyl 5-bromo-1-naphthateMethyl 5-bromo-1-napthoate
Show more names
5-Bromo-phthalene-1-carboxylic acid methyl ester
AE-562/12223014SCHEMBL2646933SCHEMBL29583255MGAHYBCONLQGDK-UHFFFAOYSA-Nmethyl 5-bromonaphthalenecarboxylateAB9648Methyl 5-Bromo-1-naphthylcarboxylateSBB102887
Database identifiers
- CAS
59866-97-6- PubChem CID
- 4557673
- DTXSID
DTXSID50404236- EC Number
- 192-901-1
- Nikkaji
- J2.222.455G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 268 · 268-274 °C(Press: 215 Torr)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers23 total
上海康恩博医药科技有限公司17510465506 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海平创化工科技有限公司15001988657 15802146997
河南东元化工科技有限公司16696119288 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海智乾生物科技有限公司[email protected]
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上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
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