HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 98950Generated: October 27, 2026
Chloro(phenyl)acetic acid
2-Chloro-2-phenylacetic acid · AKOS 94160 · AKOS BBS-00004000 · A-CHLOROPHENYLACETIC ACID · α-Chlorophenylacetic acid · α-Chlorobenzeneacetic acid · ALPHA-CHLOROPHENYLACETIC ACID · Benzeneacetic acid, α-chloro-
https://huagongshe.com/en/chemical/98950
Identifiers & Physical Properties
| CAS No. | 4755-72-0 |
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| Molecular formula | C8H7ClO2 |
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| Average molar mass | 170.59 g/mol |
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| Monoisotopic mass | 170.01345714 g/mol |
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| SMILES | O=C(O)C(Cl)c1ccccc1 |
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| InChIKey | QKSGIGXOKHZCQZ-UHFFFAOYSA-N |
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| PubChem CID | 98950 |
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| EC No. | 225-284-5 |
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| DTXSID | DTXSID101023256 |
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Chemical & Physical Properties
| XLogP | 2.1 |
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| Topological polar surface area | 37.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 141 |
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| Melting point | 60-61 °C(Solv: ligroine (8032-32-4)) |
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| Boiling point | 125-140 °C(Press: 3 Torr) |
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| Density | 1.322±0.06 g/cm3(Predicted) |
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| Storage conditions | 2-8°C |
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| pKa (acidity coefficient) | 2.40±0.10(Predicted) |
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| Physical state | lumps |
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| Appearance | White to off-white Solid |
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| InChI | 1S/C8H7ClO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11) |
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| InChIKey | QKSGIGXOKHZCQZ-UHFFFAOYSA-N |
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| SMILES | OC(=O)C(Cl)c1ccccc1 |
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| UNSPSC Code | 12352100 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P302+P352-P305+P351+P338 |
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| Target organs | Respiratory system |
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| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36/37/38 |
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| Safety statements (S) | 26 |
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| Water hazard class (WGK) | 3 |
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| Customs code | 2916399090 |
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| Storage class | 11 - Combustible Solids |
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| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
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| Water hazard class (WGK) | 3 |
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| Customs code | 2916399090 |
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| Risk statements (R) | 36/37/38 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| Safety statements (S) | 26 |
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| Storage class | 11 - Combustible Solids |
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| Target organs | Respiratory system |
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| GHS hazard statements | H315-H319-H335 |
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| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| GHS precautionary statements | P302+P352-P305+P351+P338 |
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