HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 22679883Generated: November 2, 2026
4-(4-Chloro-3-methylphenoxy)-benzoic acid
Benzoic acid, 4-(4-chloro-3-methylphenoxy)- · JR-7133, 4-(4-Chloro-3-methylphenoxy)benzoic acid, 97%
https://huagongshe.com/en/chemical/22679883
Identifiers & Physical Properties
| CAS No. | 925005-02-3 |
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| Molecular formula | C14H11ClO3 |
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| Average molar mass | 262.69 g/mol |
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| Monoisotopic mass | 262.0396719 g/mol |
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| SMILES | Cc1cc(Oc2ccc(C(=O)O)cc2)ccc1Cl |
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| InChIKey | VWWOQOMNFSOVPN-UHFFFAOYSA-N |
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| PubChem CID | 22679883 |
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| EC No. | 111-828-8 |
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Chemical & Physical Properties
| XLogP | 4 |
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| Topological polar surface area | 46.5 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 18 |
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| Formal charge | 0 |
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| Complexity | 287 |
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| Boiling point | 402.6±35.0 °C(Predicted) |
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| Density | 1.308±0.06 g/cm3(Predicted) |
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| Physical state | solid |
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| pKa (acidity coefficient) | 4.27±0.10(Predicted) |
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| InChI | 1S/C14H11ClO3/c1-9-8-12(6-7-13(9)15)18-11-4-2-10(3-5-11)14(16)17/h2-8H,1H3,(H,16,17) |
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| InChIKey | VWWOQOMNFSOVPN-UHFFFAOYSA-N |
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| SMILES | CC1=CC(OC2=CC=C(C(O)=O)C=C2)=CC=C1Cl |
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| UNSPSC Code | 12352101 |
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| NACRES | NA.21 |
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| GHS pictogram | GHS07,GHS09 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319-H410 |
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| GHS precautionary statements | P273-P302+P352-P305+P351+P338 |
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| Water hazard class (WGK) | WGK 3 |
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| Storage class | 11 - Combustible Solids |
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| Hazard class | Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, 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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| Water hazard class (WGK) | WGK 3 |
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| Signal word | Warning |
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| GHS pictogram | GHS07,GHS09 |
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| Storage class | 11 - Combustible Solids |
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| GHS hazard statements | H315-H319-H410 |
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| Hazard class | Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2 |
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| GHS precautionary statements | P273-P302+P352-P305+P351+P338 |
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