p-Chlorobutyrophenone (CAS 939-52-6) — formula C10H11ClO, molecular weight 182.64; category organic chemicals.
p-Chlorobutyrophenone is a carbon-based organic compound with CAS registry number 939-52-6 and molecular formula C10H11ClO (molecular weight 182.64), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 939-52-6
Its molecular formula C10H11ClO comprises 10 C, 11 H, 1 Cl, 1 O atoms.
Also known as: p-Chlorobutyrophenone · gamma-Chlorobutyrophenone
Category: organic chemicals
The CAS registry number of p-Chlorobutyrophenone is 939-52-6.
Molecular formula C10H11ClO, molecular weight 182.64.
It is also registered under: p-Chlorobutyrophenone, gamma-Chlorobutyrophenone.
Category: Organic Chemicals.
Public-database records for p-Chlorobutyrophenone (CAS 939-52-6), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (97.5%), H317 (97.5%) |
|---|
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
| CAS Registry Number | 939-52-6 |
|---|---|
| PubChem CID | 70321 |
| 分子式 | C10H11ClO |
| IUPAC 名称 | 1-(4-chlorophenyl)butan-1-one |
| UNII（FDA） | Q8PTC88P96 |
4'-Chlorobutyrophenone; 1-Butanone, 1-(4-chlorophenyl)-; 1-(4-Chlorophenyl)-1-butanone; EINECS 225-631-0; AI3-04096; DTXSID50870811; RefChem:506070; DTXCID00818501; 225-631-0; 4981-63-9; 1-(4-chlorophenyl)butan-1-one; p-Chlorobutyrophenone; MFCD00013647; Butyrophenone, 4'-chloro-; 4-Chlorophenyl propyl ketone; SCHEMBL318783
| 分子量 | 182.64 |
|---|---|
| XLogP3 | 3.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 3 |
| 精确质量 | 182.0498427 |
| 单同位素质量 | 182.0498427 |
| 拓扑极性表面积 | 17.1 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
p-Chlorobutyrophenone · CAS 939-52-6 · C10H11ClO. UNII Q8PTC88P96.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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