HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11078356Generated: October 23, 2026
Methyl 5-bromo-2-iodobenzoate
5-Bromo-2-iodobenzoate · 5-Bromo-2-iodo-benzoic acid methyl ester · QCF4 · Methyl 2-Iodo-5-Bromobenzoate · 5-bromo-2-iodobenzoate methyl · Benzoic acid,5-broMo-2-iodo-, Methyl ester · Methyl 5-broMo-2-iodobenzoate · METHYL 5-BROMMETHYL 5-BROMO-2-IODOBENZOATEO-2-IODOBENZOATE
https://huagongshe.com/en/chemical/11078356
Identifiers & Physical Properties
| CAS No. | 181765-86-6 |
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| Molecular formula | C8H6BrIO2 |
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| Average molar mass | 340.94 g/mol |
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| Monoisotopic mass | 339.85958953 g/mol |
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| SMILES | COC(=O)c1cc(Br)ccc1I |
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| InChIKey | CJRHLSZJEFJDLA-UHFFFAOYSA-N |
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| PubChem CID | 11078356 |
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| EC No. | 628-563-3 |
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| DTXSID | DTXSID50454453 |
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Chemical & Physical Properties
| XLogP | 3.4 |
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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 | 2 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 174 |
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| Melting point | 45-49 °C (lit.) |
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| Boiling point | 134°C/1mmHg(lit.) |
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| Density | 2.059±0.06 g/cm3(Predicted) |
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| Flash point | 113℃ |
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| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
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| Physical state | powder to crystal |
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| Color | White to Orange to Green |
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| InChIKey | CJRHLSZJEFJDLA-UHFFFAOYSA-N |
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| UNSPSC Code | 12352100 |
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| NACRES | NA.22 |
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| GHS pictogram | GHS06 |
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| Signal word | Danger |
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| GHS hazard statements | H301 |
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| GHS precautionary statements | P264-P270-P301+P310-P405-P501 |
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| Hazard symbols | T |
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| Risk statements (R) | 25 |
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| Safety statements (S) | 45 |
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| UN transport number | UN 2811 6.1/PG 3 |
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| Water hazard class (WGK) | 3 |
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| Customs code | 2916399090 |
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| REACH registrations | Active |
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Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 4.7% (2 of 43) of reports.DangerH301 (93%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. |
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| Regulatory information | Status: Active Update: 25-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33132 |
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| Hazard Classes and Categories | Acute Tox. 3 (93%) |
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| Water hazard class (WGK) | 3 |
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| UN transport number | UN 2811 6.1/PG 3 |
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| Customs code | 2916399090 |
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| Risk statements (R) | 25 |
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| Signal word | Danger |
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| GHS pictogram | GHS06 |
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| Hazard symbols | T |
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| Safety statements (S) | 45 |
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| GHS hazard statements | H301 |
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| REACH registrations | Active |
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| GHS precautionary statements | P264-P270-P301+P310-P405-P501 |
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