3,4-Difluorocinnamic acid (CAS 112897-97-9) — formula C9H6F2O2, molecular weight 184.14; category organic chemicals.
3,4-Difluorocinnamic acid is a carbon-based organic compound with CAS registry number 112897-97-9 and molecular formula C9H6F2O2 (molecular weight 184.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 112897-97-9
Its molecular formula C9H6F2O2 comprises 9 C, 6 H, 2 F, 2 O atoms.
Also known as: 3,4-Difluorocinnamic acid · trans-3,4-Difluorocinnamic acid
Category: organic chemicals
The CAS registry number of 3,4-Difluorocinnamic acid is 112897-97-9.
Molecular formula C9H6F2O2, molecular weight 184.14.
It is also registered under: 3,4-Difluorocinnamic acid, trans-3,4-Difluorocinnamic acid.
Category: Organic Chemicals.
Public-database records for 3,4-Difluorocinnamic acid (CAS 112897-97-9), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (97.9%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| CAS Registry Number | 112897-97-9 |
|---|---|
| PubChem CID | 2733300 |
| 分子式 | C9H6F2O2 |
| IUPAC 名称 | (E)-3-(3,4-difluorophenyl)prop-2-enoic acid |
| UNII（FDA） | ST50826856 |
trans-3,4-Difluorocinnamic acid; 112897-97-9; DTXSID701347531; RefChem:898774; DTXCID201776268; 623-374-2; 3,4-Difluorocinnamic acid; (E)-3-(3,4-difluorophenyl)acrylic acid; (E)-3-(3,4-difluorophenyl)prop-2-enoic acid; MFCD00010320; (2E)-3-(3,4-difluorophenyl)prop-2-enoic acid; 3-(3,4-Difluorophenyl)acrylic acid; 3-(3,4-Difluoro-phenyl)acrylic acid; AKOS025310637; CS-W017014; D4161
| 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 |
3,4-Difluorocinnamic acid · CAS 112897-97-9 · C9H6F2O2. UNII ST50826856.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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