2-iodo-2-methylpropane

• ChemBase编号: 88805
• 分子式: C4H9I
• 平均质量: 184.01873
• 单一同位素质量: 183.97489829
• SMILES: IC(C)(C)C
• Canonical SMILES: CC(I)(C)C
• InChI: InChI=1S/C4H9I/c1-4(2,3)5/h1-3H3
• InChIKey: ANGGPYSFTXVERY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-iodo-2-methylpropane
• IUPAC传统名: propane, 2-iodo-2-methyl-
• 别名: 叔丁基碘; 2-碘-2-甲基丙烷; 2-Iodo-2-methylpropane; tert-Butyl iodide; tert-Butyl iodide; 2-Iodo-2-methylpropane

登记号

• CAS号: 558-17-8
• EC号: 209-190-1
• MDL号: MFCD00001068
• Beilstein号: 505950
• PubChem SID: 162075711; 24854758; 24851968
• PubChem CID: 11206

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.2981915
• LogD (pH = 7.4): 2.2981915
• Log P: 2.2981915
• 摩尔折射率: 33.4485 cm^3
• 极化性: 13.168973 Å^3
• 极化表面积: 0.0 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

• 熔点: -38 °C(lit.); -38°C; -38°C
• 沸点: 99-100 °C(lit.); 99-100°C; 99-100°C
• 闪点: 46.4 °F; 7°C; 7°C(44°F); 8 °C
• 密度: 1.544 g/mL at 25 °C(lit.); 1.547
• 折射率: 1.4910; n20/D 1.491; n20/D 1.491(lit.)

安全信息

• 保存注意事项: Highly Flammable/Mutagenic/Harmful/Light Sensitive; Light Sensitive
• RTECS编号: TZ4251000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 2391; UN2391
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-36/37/38; 11-36/37/38-53
• 安全公开号: 16-26; 16-26-36; 9-16-23-26-33-37-60
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H315-H319-H335; H225-H315-H319-H335-H400
• GHS警示性声明: P210-P260-P280H-P243-P305+P351+P338; P210-P261-P273-P305 + P351 + P338
• 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 2391 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥90% (GC); 95%; 95%, stab. with copper powder
• 级别: technical
• 其他组分: copper as stabilizer; silver wool as stabilizer
• 线性分子式: (CH3)3Cl

详细说明

Apollo Scientific Ltd - OR42211

Stabilised with copper powder

Sigma Aldrich - 245798

包装
25, 100 g in glass bottle

参考文献

• With DMSO, generates iodomethylsulfonium iodide, a reagent which is more reactive than that derived from tert-Butyl bromide, A13727 for the cleavage of ethylene thioacetals.