Basic information
- CAS
81316-36-1- Standard SMILES
COC(=O)C(=O)c1cccc(Br)c1- InChIKey
JHRVFNCYNNNVSI-UHFFFAOYSA-N- Molecular formula
- C9H7BrO3
- Average molar mass
- 243.05 g/mol
- Monoisotopic mass
- 241.95785618
Names & identifiers
- Preferred name
- Methyl 2-(3-bromophenyl)-2-oxoacetate
- IUPAC
- methyl 2-(3-bromophenyl)-2-oxoacetate
- English name
- Methyl 2-(3-broMophenyl)-2-oxoacetate
- Molecular formula
- C9H7BrO3
- Molecular weight
- 243.05408
Names & synonyms
METHYL 2-(3-BROMOPHENYL)-2-OXOACETATE81316-36-1DTXSID30469505RefChem:353826DTXCID804203233-Bromo-oxo-benzeneacetic acid methyl esterMFCD11973930Methyl 2-(3-bromophenyl)-2-oxo-acetateSCHEMBL1525400JHRVFNCYNNNVSI-UHFFFAOYSA-NMethyl 3-bromo-a-oxobenzeneacetateMethyl (3-bromophenyl)(oxo)acetate
Show more names
Methyl 3-bromo-α-oxobenzeneacetateBenzeneacetic acid, 3-bromo-α-oxo-, methyl ester
XH1615AKOS022176231Methyl 3-bromo-alpha-oxobenzeneacetateAS-63127DA-02634SY151303CS-0150928METHYL2-(3-BROMOPHENYL)-2-OXOACETATE
Database identifiers
- CAS
81316-36-1- PubChem CID
- 11615668
- DTXSID
DTXSID30469505- EC Number
- 192-626-7
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 53 °C · 53 °C
- Boiling point
- 309.9 · 309.9±25.0 °C(Predicted)
- Density
- 1.546 · 1.546±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers28 total
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]
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]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
苏州启航生物科技有限公司18151111370
南通博苏医药科技有限公司0513-51005092; 15962844273 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
天津安浩生物科技有限公司[email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
Related reactions
1 records
Compound notes
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