2-methylprop-2-enenitrile

• ChemBase编号: 107848
• 分子式: C4H5N
• 平均质量: 67.0892
• 单一同位素质量: 67.04219917
• SMILES: CC(=C)C#N
• Canonical SMILES: CC(=C)C#N
• InChI: InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3
• InChIKey: GYCMBHHDWRMZGG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methylprop-2-enenitrile
• IUPAC传统名: methacrylonitrile
• 别名: 甲基丙烯腈; 2-Methyl-2-propenenitrile; 1-Methylethenyl Cyanide; 2-Methylacrylonitrile; 2-Methylpropenenitrile; Isobutenenitrile; Isopropenylnitrile; Methacrylnitrile; NSC 24145; α-Methacrylonitrile; α-Methylacrylonitrile; METHACRYLONITRILE; Methylacrylonitrile; 2-Cyanopropene; 2-Cyano-1-propene; Isopropenecyanide; Isopropenylcyanid; Isopropene cyanide; Methacrylonitrile

登记号

• CAS号: 126-98-7
• EC号: 204-817-5
• MDL号: MFCD00001872
• Beilstein号: 773708
• PubChem SID: 162094884; 24851691; 24867938
• PubChem CID: 31368
• Chemspider ID: 29101
• 维基百科标题: Methacrylonitrile

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.1531134
• LogD (pH = 7.4): 1.1531134
• Log P: 1.1531134
• 摩尔折射率: 20.6278 cm^3
• 极化性: 7.6987753 Å^3
• 极化表面积: 23.79 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 2.57 g/100 mL (20 °C) in water
• 外观: Clear colorless to very slightly yellow liquid
• 熔点: -35.8 °C(lit.); -35.8°C
• 沸点: 90 - 92°C; 90°C; 90-92 °C(lit.)
• 闪点: 12 °C; 13°C (55.4°F); 53.6 °F
• 密度: 0.8 g/mL; 0.8 g/mL at 25 °C(lit.); 0.80 g/ml
• 折射率: n20/D 1.400(lit.)
• 蒸汽压: 64 mmHg ( 20 °C)

安全信息

• RTECS编号: UD1400000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 3079
• 德国WGK号: 1
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 1
• 危险公开号: 11-23/24/25-43; R:11-23/24/25-43-51/53
• 安全公开号: 9-16-18-29-45; S:9-16-18-29-45-61
• GHS危险品标识: GHS02; GHS06
• GHS警示词: Danger
• GHS危险声明: H225-H301-H311-H317-H331
• GHS警示性声明: P210-P261-P280-P301 + P310-P311
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3079 3/PG 1

产品相关信息

• 纯度: 99%
• 级别: analytical standard
• 包装: ampule of 1000 mg
• 其他组分: 50 ppm monomethyl ether hydroquinone as inhibitor
• 线性分子式: CH2=C(CH3)CN

详细说明

MP Biomedicals - 05205198

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 195413

包装
100, 500 mL in glass bottle

Toronto Research Chemicals - M226015

This study reports the toxicity and metabolism of Methacrylonitrile (MeAN) in normal male Sprague-Dawley rats and those pre-treated with caffeine, alcohol or both. These results suggest that caffeine inhibited and alcohol enhanced toxicity and metabolism

参考文献

• Ahmed, A., et al.: Toxicol Lett., 12, 157 (1982)
• El Hadri, L., et al.: Toxicol. Appl. Pharmacol., 205, 116 (1982)
• Farooqui, M., et al.: J. Biochem. Toxicol., 5, 109 (1982)
• Farooqui, M., et al.: Drug Metab. Dispos., 2, 156 (1982)