1-碘己烷 | 638-45-9
中文名称:
1-碘己烷
英文名称:
1-Iodohexane
CAS No.:
638-45-9
分子式:
C6 H1 3 I
分子量:
212.0719
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-碘己烷结构式
名称和标识符
MDL
MFCD00001102
InChIKey
ANOOTOPTCJRUPK-UHFFFAOYSA-N
Inchi
1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
SMILES
IC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
BRN
505971
别名信息
- 中文别名 -
1-碘己烷
1-碘己烷(含稳定剂铜屑)
1-Iodohexane (stabilized with Copper chip) 1-碘己烷(含稳定剂铜屑)
1-碘已烷
碘己烷
- 英文别名 -
1-iodohexane
1-Iodohexane (stabilized with Copper chip)
Hexyl Iodide
1-Hexyliodide
1-iodo-hexan
1-iodo-n-hexane
1-Jodhexan
6-iodohexane
hexane,1-iodo
Hexyljodid
iodo hexane
n-C6H13I
N-HEXYL IODIDE
n-iodohexane
Hexyl Iodide (stabilized with Copper chip)
Hexane, 1-iodo-
1-Hexyl iodide
IODOHEXANE
1-iodo-hexane
ANOOTOPTCJRUPK-UHFFFAOYSA-N
n-hexyliodide
iodo-hexane
1-iodanylhexane
C6H13I
1 -iodohexane
Hexane, iodo-
1-Iodo Hexane
Hexane,1-iodo-
PubChem3945
1-IODOHEPXANE
DSSTox_CID_29298
DSSTox_RID_83416
DSSTox_GSID_49341
Hexyl iodide
ANOOTOPTCJRUPK-UHFFFAOYSA-
CAS-638-45-9
CS-0132388
F20355
27F4BFU2DR
DTXCID2029298
AKOS000119807
I0059
FT-0607963
EINECS 211-339-0
n-Hexyl iodide
638-45-9
NSC 9251
DTXSID2049341
UNII-27F4BFU2DR
NCGC00260408-01
CHEMBL3188734
F8880-7919
InChI=1/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
J-802255
1-Iodohexane contains copper as stabilizer
Tox21_202862
VS-02954
EINECS 247-034-4
NS00035591
NSC-9251
NSC9251
1-Iodohexane, purum, >=97.0% (GC)
MFCD00001102
EN300-19977
1-IODOHEXANE
SY048510
A834555
1-Iodohexane, contains copper as stabilizer, >=98%
25495-92-5
SCHEMBL189651
物化性质
实验特性
LogP
3.00170
PSA
0.00000
折射率
n20/D 1.492(lit.)
沸点
180°C(lit.)
熔点
-75 ºC
闪点
华氏:141.8 °F 摄氏:61 °C
颜色与性状
无色液体。
溶解性
不溶于水。
敏感性
Light Sensitive/Air Sensitive/Heat Sensitive
密度
1.437 g/mL at 25 °C(lit.)
计算特性
精确分子量
212.00600
氢键供体数量
0
氢键受体数量
0
可旋转化学键数量
4
同位素质量
212.006193
重原子数量
7
复杂度
27.4
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)
4.2
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
0
海关数据
海关编码
29033080
海关数据
中国海关编码:
2903399090
概述:
2903399090. 其他无环烃的氟化、溴化或碘化衍生物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2903399090. brominated,fluorinated or iodinated derivatives of acyclic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
生产方法和用途
用途
用于有机合成。
生产方法
由1-己醇与碘及赤磷反应或由1-氯己烷与碘化钠用丙酮回流制取。
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参考资料
Reaxys RN
505971
Beilstein
1,146
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