3-Bromobenzotrifluoride (CAS 401-78-5) — formula C7H4BrF3, molecular weight 225.01; category inorganic chemicals.
Documented applications: General Manufacturing Information: Benzene, 1-bromo-3-(trifluoromethyl)-: ACTIVE.
3-Bromobenzotrifluoride is an inorganic compound with CAS registry number 401-78-5 and molecular formula C7H4BrF3 (molecular weight 225.01), belonging to the inorganic chemicals segment of chemical raw materials.
CAS number: 401-78-5
Its molecular formula C7H4BrF3 comprises 7 C, 4 H, 1 Br, 3 F atoms.
Also known as: 3-Bromobenzotrifluoride · M-bromobenzotrifluoride
Category: inorganic chemicals
The CAS registry number of 3-Bromobenzotrifluoride is 401-78-5.
Molecular formula C7H4BrF3, molecular weight 225.01.
It is also registered under: 3-Bromobenzotrifluoride, M-bromobenzotrifluoride.
Recorded applications: General Manufacturing Information: Benzene, 1-bromo-3-(trifluoromethyl)-: ACTIVE.
Category: Inorganic Chemicals.
Public-database records for 3-Bromobenzotrifluoride (CAS 401-78-5), reproduced here for independent cross-checking.
| Reported hazard statements | H226 (100%), H315 (19.6%), H319 (21.6%), H335 (19.6%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (19.6%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 401-78-5 |
|---|---|
| PubChem CID | 9817 |
| 分子式 | C7H4BrF3 |
| IUPAC 名称 | 1-bromo-3-(trifluoromethyl)benzene |
| UNII（FDA） | 9A2GF99MK4 |
3-Bromobenzotrifluoride; 401-78-5; 1-Bromo-3-(trifluoromethyl)benzene; m-Bromobenzotrifluoride; 3-(Trifluoromethyl)bromobenzene; Benzene, 1-bromo-3-(trifluoromethyl)-; 3-Bromobenzyltrifluoride; 3-Bromotrifluoromethylbenzene; 3-Brombenzotrifluorid; 3-(Trifluoromethyl)phenyl bromide; m-(Trifluoromethyl)bromobenzene; m-(Trifluoromethyl)phenyl bromide; m-Bromo(trifluoromethyl)benzene; m-Bromo-alpha,alpha,alpha-trifluorotoluene; NSC 9468; 3-Brombenzotrifluorid [Czech]
| 分子量 | 225.01 |
|---|---|
| XLogP3 | 4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 0 |
| 精确质量 | 223.94485 |
| 单同位素质量 | 223.94485 |
| 拓扑极性表面积 | 0 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
3-Bromobenzotrifluoride · CAS 401-78-5 · C7H4BrF3. UNII 9A2GF99MK4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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