HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19367113Generated: October 27, 2026
3-Chloro-4-(piperazin-1-yl)benzonitrile
3-Chloro-4-(piperazin-1-yl)benzonitrile · Benzonitrile, 3-chloro-4-(1-piperazinyl)-
https://huagongshe.com/en/chemical/19367113
Identifiers & Physical Properties
| CAS No. | 182181-32-4 |
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| Molecular formula | C11H12ClN3 |
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| Average molar mass | 221.68 g/mol |
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| SMILES | N#Cc1ccc(N2CCNCC2)c(Cl)c1 |
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| InChIKey | MXPSPUJYQPNITO-UHFFFAOYSA-N |
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| PubChem CID | 19367113 |
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| EC No. | 961-068-3 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 39.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 254 |
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| Boiling point | 391.6±42.0 °C(Predicted) |
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| Density | 1.28±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 8.66±0.10(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H319-H335-H302+H312+H332-H315 |
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| GHS precautionary statements | P280-P304+P340-P362+P364 |
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| Customs code | 2933599590 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 | Acute Tox. 4 (100%) |
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| Customs code | 2933599590 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H319-H335-H302+H312+H332-H315 |
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| GHS precautionary statements | P280-P304+P340-P362+P364 |
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