954-81-4 (N-(5-溴戊基)邻苯二甲酰亚胺,N-(5-Bromopentyl)phthalimide)

CAS号:
954-81-4
中文名称:
N-(5-溴戊基)邻苯二甲酰亚胺
英文名称:
N-(5-Bromopentyl)phthalimide
安全信息:
分子式:
C13H14BrNO2
分子量:
296.159762859344

N-(5-溴戊基)邻苯二甲酰亚胺(954-81-4)名称与标识符

名称

中文别名:
N-(5-溴戊基)邻苯二甲酰亚胺;N-(5-溴戊基)酞亚胺;i>-(5-溴戊基)邻苯二甲酰亚胺;
英文别名:
2-(5-Bromopentyl)isoindoline-1,3-dione;N-(5-Bromopentyl)phthalimide;2-(5-BROMO-PENTYL)-ISOINDOLE-1,3-DIONE;2-(5-Bromopentyl)isoindole-1,3-dione;<i>N<;2-(5-Bromopentyl)-1H-isoindole-1,3(2H)-dione;N-(5-Bromopentyl)-phthalimide;QKVHAKICMNABGB-UHFFFAOYSA-N;2-(5-bromopentyl)-2,3-dihydro-1H-isoindole-1,3-dione;NSC83526;5-phthalimidopentyl bromide;NCIOpen2_004666;1-bromo-5-phthalimidopentane;1H-Isoindole-1,3(2H)-dione, 2-(5-bromopentyl)-;2-(5-Bromopentyl)-1H-isoindole-1,3(2H)-dione (ACI);Phthalimide, N-(5-bromopentyl)- (7CI, 8CI);N-(5-Bromopentyl)phthalamide;NSC 83526;DTXCID20164315;n-(5-bromopentyl) phthalimide;CS-0019374;SB64074;MFCD00060522;1H-Isoindole-1,3(2H)-dione,2-(5-bromopentyl)-;B4986;SCHEMBL31129;2-(5-Bromopentyl)-1H-isoindole-1,3(2H)-dione #;DB-057586;SY039363;NSC-83526;954-81-4;F20405;AKOS003245053;SR-01000325457-1;DTXSID90241824;N-(5-Bromopentyl)phthalimide, 95%;SR-01000325457;STR07349;EN300-132997;

标识符

MDL:
MFCD00060522
InChIKey:
QKVHAKICMNABGB-UHFFFAOYSA-N
Inchi:
1S/C13H14BrNO2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2
SMILES:
O=C1N(CCCCCBr)C(=O)C2C1=CC=CC=2
BRN:
177015

N-(5-溴戊基)邻苯二甲酰亚胺(954-81-4)物化性质

实验特性

  • LogP : 2.78570
  • PSA : 37.38000
  • 折射率 : 1.591
  • 水溶性 : Insoluble in water.
  • 沸点 : 393.1 °C at 760 mmHg
  • 熔点 : 60.0 to 64.0 deg-C
  • 闪点 : 191.5 °C
  • 溶解度 : 几乎不溶 (0.025 g/L) (25 ºC),
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定
  • 最大波长(λmax) : 295(EtOH)(lit.)
  • 密度 : 1.459±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 295.02100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 5
  • 同位素质量 : 295.021
  • 重原子数量 : 17
  • 复杂度 : 282
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 37.4

N-(5-溴戊基)邻苯二甲酰亚胺(954-81-4)海关数据

海关编码:
2925190090
海关数据:

中国海关编码:

2925190090

概述:

2925190090 其他酰亚胺及其衍生物盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

N-(5-溴戊基)邻苯二甲酰亚胺(954-81-4)合成路线

合成路线:1 步
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参考文献:
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参考文献:
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N-(5-溴戊基)邻苯二甲酰亚胺(954-81-4)相关文献

N-(5-溴戊基)邻苯二甲酰亚胺(954-81-4)参考资料

Reaxys RN:
177015
PubChem CID: