2,5-Difluorocinnamic acid (CAS 112898-33-6) — formula C9H6F2O2, molecular weight 184.14; category organic chemicals.
2,5-Difluorocinnamic acid is a carbon-based organic compound with CAS registry number 112898-33-6 and molecular formula C9H6F2O2 (molecular weight 184.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 112898-33-6
Its molecular formula C9H6F2O2 comprises 9 C, 6 H, 2 F, 2 O atoms.
Also known as: 2,5-Difluorocinnamic acid · trans-2,5-Difluorocinnamic acid
Category: organic chemicals
The CAS registry number of 2,5-Difluorocinnamic acid is 112898-33-6.
Molecular formula C9H6F2O2, molecular weight 184.14.
It is also registered under: 2,5-Difluorocinnamic acid, trans-2,5-Difluorocinnamic acid.
Category: Organic Chemicals.
Public-database records for 2,5-Difluorocinnamic acid (CAS 112898-33-6), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (100%), H302 (100%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 112898-33-6 |
|---|---|
| PubChem CID | 2733299 |
| 分子式 | C9H6F2O2 |
| IUPAC 名称 | (E)-3-(2,5-difluorophenyl)prop-2-enoic acid |
| UNII（FDA） | ST50411827 |
112898-33-6; (2E)-3-(2,5-difluorophenyl)prop-2-enoic acid; RefChem:396403; 628-615-5; trans-2,5-Difluorocinnamic acid; 2,5-Difluorocinnamic acid; (E)-3-(2,5-Difluorophenyl)acrylic acid; 3-(2,5-Difluorophenyl)acrylic acid; 375368-88-0; (E)-3-(2,5-difluorophenyl)prop-2-enoic acid; MFCD00010318; 2-Propenoic acid, 3-(2,5-difluorophenyl)-, (2E)-; 2,5-difluorocinnamicacid; (2E)-3-(2,5-Difluorophenyl)-2-propenoic acid #; Z2942852737; (2E)-3-(2,5-Difluorophenyl)acrylic acid
| 分子量 | 184.14 |
|---|---|
| XLogP3 | 2.1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 4 |
| 可旋转键数 | 2 |
| 精确质量 | 184.03358575 |
| 单同位素质量 | 184.03358575 |
| 拓扑极性表面积 | 37.3 |
| 重原子数 | 13 |
| 形式电荷 | 0 |
2,5-Difluorocinnamic acid · CAS 112898-33-6 · C9H6F2O2. UNII ST50411827.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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