3,4-dichlorophenylalanine (CAS 52794-99-7) — formula C9H9Cl2NO2, molecular weight 234.08; category organic chemicals.
3,4-dichlorophenylalanine is a carbon-based organic compound with CAS registry number 52794-99-7 and molecular formula C9H9Cl2NO2 (molecular weight 234.08), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 52794-99-7
Its molecular formula C9H9Cl2NO2 comprises 9 C, 9 H, 2 Cl, 1 N, 2 O atoms.
Also known as: 3,4-dichlorophenylalanine · L-3,4-Dichlorophe
Category: organic chemicals
The CAS registry number of 3,4-dichlorophenylalanine is 52794-99-7.
Molecular formula C9H9Cl2NO2, molecular weight 234.08.
It is also registered under: 3,4-dichlorophenylalanine, L-3,4-Dichlorophe.
Category: Organic Chemicals.
Public-database records for 3,4-dichlorophenylalanine (CAS 52794-99-7), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 52794-99-7 |
|---|---|
| PubChem CID | 2761498 |
| 分子式 | C9H9Cl2NO2 |
| IUPAC 名称 | (2S)-2-amino-3-(3,4-dichlorophenyl)propanoic acid |
52794-99-7; 3,4-Dichloro-L-phenylalanine; L-3,4-Dichlorophenylalanine; (S)-2-Amino-3-(3,4-dichlorophenyl)propanoic acid; (2S)-2-amino-3-(3,4-dichlorophenyl)propanoic acid; 3,4-dichlorophenylalanine; H-Phe(3,4-DiCl)-OH; L-3,4-DICHLOROPHE; MFCD00191203; (2S)-2-azaniumyl-3-(3,4-dichlorophenyl)propanoate; L-3,4-Dichlorophenlalanine; 3,4-di chlorophenylalanine; SCHEMBL43915; CHEMBL4866247; SCHEMBL29397861; 3,4-DICHLORO-L-PHE-OH
| 分子量 | 234.08 |
|---|---|
| XLogP3 | -0.8 |
| 氢键供体数 | 2 |
| 氢键受体数 | 3 |
| 可旋转键数 | 3 |
| 精确质量 | 233.0010339 |
| 单同位素质量 | 233.0010339 |
| 拓扑极性表面积 | 63.3 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
3,4-dichlorophenylalanine · CAS 52794-99-7 · C9H9Cl2NO2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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