1-Bromo-3-methyl-2-butanone (CAS 19967-55-6) — formula C5H9BrO, molecular weight 165.03; category organic chemicals.
1-Bromo-3-methyl-2-butanone is a carbon-based organic compound with CAS registry number 19967-55-6 and molecular formula C5H9BrO (molecular weight 165.03), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 19967-55-6
Its molecular formula C5H9BrO comprises 5 C, 9 H, 1 Br, 1 O atoms.
Also known as: 1-Bromo-3-methyl-2-butanone · 1-溴-3-甲基-2-丁酮
Category: organic chemicals
The CAS registry number of 1-Bromo-3-methyl-2-butanone is 19967-55-6.
Molecular formula C5H9BrO, molecular weight 165.03.
It is also registered under: 1-Bromo-3-methyl-2-butanone, 1-溴-3-甲基-2-丁酮.
Category: Organic Chemicals.
Public-database records for 1-Bromo-3-methyl-2-butanone (CAS 19967-55-6), reproduced here for independent cross-checking.
| Reported hazard statements | H226 (88.9%), H302 (22.2%), H314 (11.1%), H315 (22.2%), H319 (22.2%), H332 (22.2%), H335 (33.3%) |
|---|
H226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (22.2%): Harmful if swallowed [Warning Acute toxicity, oral]
| CAS Registry Number | 19967-55-6 |
|---|---|
| PubChem CID | 10899037 |
| 分子式 | C5H9BrO |
| IUPAC 名称 | 1-bromo-3-methylbutan-2-one |
1-bromo-3-methylbutan-2-one; RefChem:430505; 811-970-7; 19967-55-6; 1-bromo-3-methyl-2-butanone; 1-bromo-3-methyl-butan-2-one; 2-Butanone, 1-bromo-3-methyl-; MFCD00015716; Isopropyl bromomethyl ketone; 2-Bromo-1-isopropylethanone; 1-bromo-3methylbutan-2-one; SCHEMBL314018; DTXSID90447581; AKOS006230498; GS-4125; SY022725
| 分子量 | 165.03 |
|---|---|
| XLogP3 | 1.8 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 2 |
| 精确质量 | 163.98368 |
| 单同位素质量 | 163.98368 |
| 拓扑极性表面积 | 17.1 |
| 重原子数 | 7 |
| 形式电荷 | 0 |
1-Bromo-3-methyl-2-butanone · CAS 19967-55-6 · C5H9BrO.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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