基本信息
- 标准SMILES
IC1CCCCC1- InChIKey
FUCOMWZKWIEKRK-UHFFFAOYSA-N- 分子式
- C6H11I
- 平均分子量
- 210.06 g/mol
- 单同位素质量
- 209.99055
名称与标识
- 首选名称
- Iodocyclohexane
- IUPAC
- iodocyclohexane
- 中文名
- 碘环己烷
- 英文名
- IODOCYCLOHEXANE
- 分子式
- C6H11I
- 分子量
- 210.06
名称与别名
展开更多名称
数据库标识
- CAS
626-62-0- PubChem CID
- 12289
- DTXSID
DTXSID3060821- EC Number
- 210-957-8
- Nikkaji
- J43.523F
性质
结构计算性质
- XLogP
- 3.8
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 0
- 可旋转键
- 0
- 重原子
- 7
- 形式电荷
- 0
- 复杂度
- 46
实验与物化性质
Kovats Retention Index
1070;1070;1067.4;1070;1067
1117;1117
1449;1449;1405;1449
物理化学性质
- 熔点
- 52 ℃ · 52℃
- 沸点
- 80 · 80-81 °C/20 mmHg (lit.)
- 密度
- 1.624 g/mL · 1.624 g/mL at 25 °C (lit.)
- 折射率
- 20 · n20/D 1.5441(lit.)
- 闪点
- 161 °F · 161 °F
- 储存条件
- 2 · 2-8°C
- 溶解度
- Soluble in ethanol, ether, acetone.
- 形态
- Liquid
- 颜色
- Clear light brown
- 敏感性
- Light Sensitive
- BRN
- 1900797 · 1900797
- Henry's Law Constant
- 3.9 · 3.9×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- InChI
- InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2
- InChIKey
- FUCOMWZKWIEKRK-UHFFFAOYSA-N
- SMILES
- C1(I)CCCCC1
- CAS 数据库
- 626 · 626-62-0(CAS DataBase Reference)
- EPA化学物质信息
- Cyclohexane, iodo- (626-62-0)
安全与法规
GHS分类
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危害信息
安全与防护
安全数据
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- 存储类别
- 10 - Combustible liquids
- 安全说明
- 26-36
- 海关编码
- 29038900
- 危险品标志
- Xi
- 危险类别码
- 36/37/38
化学与工业
用途与制造
上下游产品信息
上游原料
下游产品
试剂价格
- B24840 · 100g
- 碘环己烷, 98%,铜稳定剂Iodocyclohexane, 98%, stab. with copper — 2114元
- 21849 · 100ml
- 碘环己烷,铜稳定剂Cyclohexyl iodide, 98%, stabilized, Thermo Scientific Chemicals — 5292元
供应商50 家
相关反应
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