HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 45791103Generated: October 29, 2026
3-(1-Pyrrolidinoethyl)phenylboronic acid
3-(1-Pyrrolidinoethyl)phenylboronic acid · 3-[1-(1-Pyrrolidinyl)ethyl]phenylboronic Acid · [3-(1-Pyrrolidin-1-ylethyl)phenyl]boronic acid · Boronic acid, B-[3-[1-(1-pyrrolidinyl)ethyl]phenyl]- · 3-(1-Pyrrolidin-1-ylethyl)phenyl]boronic acid · [3-(1-Pyrrolidin-1-ylethyl)phenyl]boronic acid(contains varying amounts of Anhydride)
https://huagongshe.com/en/chemical/45791103
Identifiers & Physical Properties
| CAS No. | 1256355-44-8 |
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| Molecular formula | C12H18BNO2 |
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| Average molar mass | 219.09 g/mol |
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| Monoisotopic mass | 219.143059 g/mol |
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| SMILES | CC(c1cccc(B(O)O)c1)N1CCCC1 |
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| InChIKey | OSQBDXBDCHOEAV-UHFFFAOYSA-N |
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| PubChem CID | 45791103 |
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| EC No. | 109-465-5 |
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| DTXSID | DTXSID30672416 |
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Chemical & Physical Properties
| Topological polar surface area | 43.7 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 16 |
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| Formal charge | 0 |
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| Complexity | 219 |
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| Boiling point | 361.7±44.0 °C(Predicted) |
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| Density | 1.13±0.1 g/cm3(Predicted) |
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| Physical state | solid |
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| pKa (acidity coefficient) | 8.12±0.10(Predicted) |
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| InChI | 1S/C12H18BNO2/c1-10(14-7-2-3-8-14)11-5-4-6-12(9-11)13(15)16/h4-6,9-10,15-16H,2-3,7-8H2,1H3 |
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| InChIKey | OSQBDXBDCHOEAV-UHFFFAOYSA-N |
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| SMILES | CC(N1CCCC1)c2cccc(c2)B(O)O |
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| UNSPSC Code | 12352106 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H319 |
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| GHS precautionary statements | P305+P351+P338 |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36 |
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| Safety statements (S) | 26 |
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| Water hazard class (WGK) | 3 |
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| Customs code | 2933998090 |
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| Storage class | 11 - Combustible Solids |
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| Hazard class | Eye Irrit. 2 |
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Safety & Regulations
| GHS classification | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
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| Water hazard class (WGK) | 3 |
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| Customs code | 2933998090 |
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| Risk statements (R) | 36 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
|---|
| Hazard symbols | Xi |
|---|
| Safety statements (S) | 26 |
|---|
| Storage class | 11 - Combustible Solids |
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| GHS hazard statements | H319 |
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| Hazard class | Eye Irrit. 2 |
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| GHS precautionary statements | P305+P351+P338 |
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