HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 104147Generated: October 25, 2026
2-Chloro-4-nitrobenzyl alcohol
Einecs 257-828-2 · 2-chloro-4-nitrobenzyl alcohol · 2-Chloro-4-nitrobenzenemethanol · Benzenemethanol, 2-chloro-4-nitro-
https://huagongshe.com/en/chemical/104147
Identifiers & Physical Properties
| CAS No. | 52301-88-9 |
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| Molecular formula | C7H6ClNO3 |
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| Average molar mass | 187.58 g/mol |
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| Monoisotopic mass | 187.00362073 g/mol |
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| SMILES | O=[N+]([O-])c1ccc(CO)c(Cl)c1 |
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| InChIKey | XHIXVZHYFBOAJT-UHFFFAOYSA-N |
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| PubChem CID | 104147 |
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| EC No. | 257-828-2 |
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| DTXSID | DTXSID10200332 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 66.1 |
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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 | 12 |
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| Formal charge | 0 |
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| Complexity | 171 |
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| Melting point | 83 °C |
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| Boiling point | 337.0±27.0 °C(Predicted) |
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| Density | 1.476±0.06 g/cm3(Predicted) |
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| Storage conditions | Sealed in dry,Room Temperature |
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| pKa (acidity coefficient) | 13.20±0.10(Predicted) |
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| Appearance | Light yellow to brown Solid |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
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| Customs code | 2906290090 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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 | Skin Irrit. 2 (100%) |
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| Customs code | 2906290090 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
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