4-nitrophenyl chloroformate

• ChemBase编号: 75326
• 分子式: C7H4ClNO4
• 平均质量: 201.56396
• 单一同位素质量: 200.98288529
• SMILES: [N+](=O)(c1ccc(cc1)OC(=O)Cl)[O-]
• Canonical SMILES: ClC(=O)Oc1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H
• InChIKey: NXLNNXIXOYSCMB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-nitrophenyl chloroformate
• IUPAC传统名: 4-nitrophenyl chloroformate
• 别名: 氯甲酸-4-硝基苯酯; 氯甲酸对硝基苯酯; 对硝基苯基氯甲酸酯; 4-Nitrophenyl carbonochloridoate; 4-[(Chlorocarbonyl)oxy]nitrobenzene; 4-Nitrophenyl chloroformate; 4-Nitrophenyl chloroformate; p-Nitrophenyl chloroformate-activated Agarose; P-NITROPHENYL CHLOROFORMATE; 4-Nitrophenyl carbonochloridate; Chloroformic acid p-nitrophenyl ester; Chloroformic acid 4-nitrophenyl ester; 4-Nitrophenyl chloroformate; p-NITROPHENYLCHLORO-FORMATE

登记号

• CAS号: 7693-46-1
• EC号: 231-706-9
• MDL号: MFCD00007321
• Beilstein号: 518127
• PubChem SID: 24853895; 162040244; 24849861
• PubChem CID: 82129

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.5272176
• LogD (pH = 7.4): 2.5272176
• Log P: 2.5272176
• 摩尔折射率: 44.2239 cm^3
• 极化性: 16.865992 Å^3
• 极化表面积: 69.44 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 75-82°C; 76-82 °C; 77-79 °C(lit.); 77-79°C
• 沸点: 159-162 °C/19 mmHg(lit.); 159-162°C @ 19 mm; 159-162°C/19mm; 159-162°C/19mm
• 闪点: >110°C(230°F)

安全信息

• 保存条件: 2-8°C, Desiccate
• 保存注意事项: Corrosive/Harmful/Moisture Sensitive/Keep Cold/Store under Argon; Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X; 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1219; 1759; 3261; UN3261
• 德国WGK号: 3
• 联合国危险货物等级: 3; 8
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 2X
• 危险公开号: 20/22-34; 34-36/37; 36-67; R:34
• 安全公开号: 26; 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• 欧盟危险货物分类: C10
• 欧盟危险识别号(EUHIN): 8B
• 美国ERG指导号: 154
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H301-H332-H314-H318; H314-H335; H319-H336
• GHS警示性声明: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1219 3/PG 2; UN 3261 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ~97%; ≥97.0% (AT); 95+%; 96%; 97%
• 级别: purum
• 标签扩展内容: 10-30 μmol per mL; 10-40 μmol per mL; 25-50 μmol per mL
• 基质: 4% beaded agarose; 6% agarose macrobeads, diameter 200-300 μm; Cross-linked 4% beaded agarose
• 基质活性基团: p-nitrophenyl carbonate
• 基质间隔基团: 1 atom (when ligands are coupled to the carbonyl groups by displacement of p-nitrophenol)
• 线性分子式: ClCO2C6H4NO2

详细说明

MP Biomedicals - 05202175

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151761

Crystalline
Purity: ~97%
Amine N-protecting reagent; also used for blocking hydroxyl groups in nucleotides.

Sigma Aldrich - 23240

Other Notes
用于合成混合型、活性碳酸酯和硫代碳酸酯、活性聚氨酯和其他化合物的试剂1

Sigma Aldrich - 160210

Application
用于制备聚(氧乙烯) 改性的葡聚糖。1
用于合成可裂解的双异官能化交联剂，这种交联剂用于胺到巯基改性 DNA 的可逆共轭。
包装
5, 25, 100 g in glass bottle

参考文献

• Letsinger, R.L., and Ogilvie, K.K., J. Org. Chem., 32: 296 (1967).
• Reagent for protection of nucleoside alcohols. The carbonate derivatives readily undergo aqueous hydrolysis in the presence of imidazole: J. Org. Chem., 33, 3699 (1967). For use in the formation of a carbonate linker in an efficient N-terminal attachment methodology for solid phase peptide synthesis, see: Synlett, 1609 (2000).