HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178795124Generated: October 30, 2026
(3-Bromo-4-fluorophenyl)acetic acid methyl ester
methyl 3-bromo-4-fluorophenylacetate · methyl 2-(3-bromo-4-fluorophenyl)acetate · (3-Bromo-4-fluorophenyl)acetic acid methyl ester · Benzeneacetic acid, 3-bromo-4-fluoro-, methyl ester
https://huagongshe.com/en/chemical/178795124
Identifiers & Physical Properties
| CAS No. | 885681-61-8 |
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| Molecular formula | C9H8BrFO2 |
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| Average molar mass | 247.06 g/mol |
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| SMILES | COC(=O)Cc1ccc(F)c(Br)c1 |
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| InChIKey | OZMVMMGUHPFAND-UHFFFAOYSA-N |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 26.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 13 |
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| Formal charge | 0 |
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| Complexity | 186 |
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| Boiling point | 270.4±25.0 °C(Predicted) |
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| Density | 1.519±0.06 g/cm3(Predicted) |
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| Physical state | liquid |
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| Color | Light brown |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 |
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| Customs code | 2916399090 |
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Safety & Regulations
| Customs code | 2916399090 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H315-H319 |
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| GHS precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 |
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