Basic information
- CAS
885681-61-8- Standard SMILES
COC(=O)Cc1ccc(F)c(Br)c1- InChIKey
OZMVMMGUHPFAND-UHFFFAOYSA-N- Molecular formula
- C9H8BrFO2
- Average molar mass
- 247.06 g/mol
Names & identifiers
- Preferred name
- (3-Bromo-4-fluorophenyl)acetic acid methyl ester
- IUPAC
- methyl 2-(3-bromo-4-fluorophenyl)acetate
- English name
- (3-Bromo-4-fluorophenyl)acetic acid methyl ester
- Molecular formula
- C9H8BrFO2
- Molecular weight
- 247.06
Names & synonyms
885681-61-8(3-Bromo-4-fluorophenyl)acetic acid methyl estermethyl 2-(3-bromo-4-fluorophenyl)acetateMFCD12025009methyl (3-bromo-4-fluorophenyl)acetateBenzeneacetic acid, 3-bromo-4-fluoro-, methyl esterSCHEMBL137265OZMVMMGUHPFAND-UHFFFAOYSA-Nmethyl2-(3-bromo-4-fluorophenyl)acetateBS-33008SY420805DB-319742
Show more names
methyl 3-bromo-4-fluorophenylacetate
methyl 2-(3-bromo-4-fluoro-phenyl)acetateCS-0212742G63766Methyl 2-(3-bromo-4-fluorophenyl)acetate, 97%F395291(3-Bromo-4-fluoro-phenyl)-acetic acid methyl ester
Database identifiers
- CAS
885681-61-8
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 270.4 · 270.4±25.0 °C(Predicted)
- Density
- 1.519 · 1.519±0.06 g/cm3(Predicted)
- form
- liquid
- color
- Light brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
温州共赢化学有限公司0577-64498589 15325081899 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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