3-bromopentane

• ChemBase编号: 106882
• 分子式: C5H11Br
• 平均质量: 151.04484
• 单一同位素质量: 150.00441235
• SMILES: CCC(Br)CC
• Canonical SMILES: CCC(CC)Br
• InChI: InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
• InChIKey: VTOQFOCYBTVOJZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-bromopentane
• IUPAC传统名: pentane, 3-bromo-
• 别名: 3-戊基溴; 3-溴戊烷; 3-BROMOPENTANE; 3-Pentyl bromide; 3-Bromopentane

登记号

• CAS号: 1809-10-5
• EC号: 217-314-0
• MDL号: MFCD00000158
• Beilstein号: 1730967
• PubChem SID: 24856244; 162087238
• PubChem CID: 15738

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.839938
• LogD (pH = 7.4): 2.839938
• Log P: 2.839938
• 摩尔折射率: 32.5112 cm^3
• 极化性: 12.649744 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 74 - 76°C
• 沸点: 118-119 °C(lit.); 118-119°C
• 闪点: 19 °C; 19°C(66°F); 66.2 °F
• 密度: 1.210; 1.216 g/mL at 25 °C(lit.)
• 折射率: 1.4450; n20/D 1.445; n20/D 1.445(lit.)
• 疏水性(logP): 3.192

安全信息

• 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: 1993; UN1993
• 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
• 安全公开号: 16-26-29-37; 16-26-36
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H315-H319-H335
• GHS警示性声明: P210-P261-P305 + P351 + P338; P210-P280G-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 1993 3/PG 2

产品相关信息

• 纯度: ≥95.0% (GC); 95%; 97%
• 级别: purum
• 杂质: ~3% 2-bromopentane
• 线性分子式: (C2H5)2CHBr

详细说明

MP Biomedicals - 05201752

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 267848

包装
25, 100 g in ampule

参考文献

• Can be used to introduce the 3-pentyl (Pen) group for protection of the phenolic OH group of tyrosine residues in peptide synthesis. See Appendix 6. The Pen group can be introduced in the presence of NaH in DMF. In comparison with other common OH protecting groups, Pen is relatively stable to 50% TFA in dichloromethane and completely stable to 20% piperidine in DMF, but can be cleaved with HF in the presence of a cation scavenger, e.g. anisole or p-cresol: Terahedron Lett., 39, 7117 (1998).