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3-羟基-3-甲基丁腈
3-Hydroxy-3-methylbutyronitrile
产品别名
13635-04-6
3-羟基-3-甲基丁腈
3-Hydroxy-3-methylbutyronitrile
β-Hydroxyisovaleronitrile
β-羟基异戊腈
结构式
基本信息
| Linear Formula【线性分子式】 | HOC(CH3)2CH2CN |
| Molecular weight | 99.13 |
| Beilstein | 1738209 |
| MDL number | MFCD00043123 |
| PubChem Substance ID【PubChem化学物质编号】 | 57651542 |
| NACRES | NA.22 |
| General description【一般描述】 | 3-Hydroxy-3-methylbutyronitrile is a β-hydroxynitrile. It undergoes thermal degradation in gas phase via a six-membered cyclic transition state. 3-Hydroxy-3-methylbutyronitrile can be synthesized from 2-hydroxy-2-methyl-1-bromopropane. |
| Application【应用】 | 3-Hydroxy-3-methylbutyronitrile may be used to synthesize 1,1-dimethylcyanoethyl bromoacetate. |
产品性质
| Assay【测定】 | ≥97.0% (GC) |
| refractive index【折射率】 | n |
| bp | 114-116 ℃/30 mmHg (lit.) |
| density | 0.959 g/mL at 20 ℃ (lit.) |
| storage temp.【储存温度】 | 2-8℃ |
| SMILES string | CC(C)(O)CC#N |
| InChI | 1S/C5H9NO/c1-5(2,7)3-4-6/h7H,3H2,1-2H3 |
| InChI key | CWPMDJFBWQJRGT-UHFFFAOYSA-N |
| packaging【包装】 | 10, 50 mL in glass bottle |
安全信息
| Pictograms【象形图】 | GHS07 |
| Signal word【警示用语：】 | Warning |
| Hazard Statements | H302 + H332 |
| Precautionary Statements | P261 - P264 - P270 - P271 - P301 + P312 - P304 + P340 + P312 |
| Hazard Classifications【危险分类】 | Acute Tox. 4 Inhalation - Acute Tox. 4 Oral |
| Storage Class Code【储存分类代码】 | 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects |
| WGK | WGK 3 |
| Flash Point(F)【闪点(F)】 | 206.6 °F - closed cup |
| Flash Point(C)【闪点(C)】 | 97 ℃ - closed cup |
| Personal Protective Equipment【个人防护装备】 | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
