基本信息
- 标准SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I- InChIKey
KWXGJTSJUKTDQU-UHFFFAOYSA-N- 分子式
- C8F17I
- 平均分子量
- 545.96 g/mol
- 单同位素质量
- 545.87733
名称与标识
- 首选名称
- Perfluorooctyl iodide
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
- 中文名
- 全氟辛基碘烷
- 英文名
- Perfluorooctyl iodide
- 分子式
- C8F17I
- 分子量
- 545.96
名称与别名
展开更多名称
数据库标识
- CAS
507-63-1- PubChem CID
- 10491
- DTXSID
DTXSID0060147- UNII
- 072985Y799
- EC Number
- 208-079-5
- Nikkaji
- J97.538I
性质
结构计算性质
- XLogP
- 6.8
- 极性表面积
- 0 Ų
- 氢键供体
- 0
- 氢键受体
- 17
- 可旋转键
- 6
- 重原子
- 26
- 形式电荷
- 0
- 复杂度
- 527
实验与物化性质
Physical Description
Liquid
Clear light pink solid or liquid; mp = 25 deg C; [Acros Organics MSDS]
物理化学性质
- 熔点
- 25 °C · 25 °C
- 沸点
- 160 · 160-161 °C(lit.)
- 密度
- 2.067 g/mL · 2.067 g/mL at 20 °C(lit.)
- 折射率
- 20 · n20/D 1.329(lit.)
- 闪点
- 160 · 160-161°C
- 储存条件
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解度
- Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
- 形态
- Liquid After Melting
- 颜色
- Clear colorless to yellow or light pink
- 敏感性
- Light Sensitive
- BRN
- 1717141 · 1717141
- InChI
- 1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
- InChIKey
- KWXGJTSJUKTDQU-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
- CAS 数据库
- 507 · 507-63-1(CAS DataBase Reference)
- NIST化学物质信息
- Perfluorooctyl iodide(507-63-1)
- EPA化学物质信息
- 1 · Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- (507-63-1)
安全与法规
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 10.8% (7 of 65) of reports.
Warning
H315 (78.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (78.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (76.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (10.8%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, 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 65 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 7 of 65 reports by companies.;There are 9 notifications provided by 58 of 65 reports by companies with hazard statement code(s).;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
Regulatory Information
Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Heptadecafluoro-1-iodooctane;EC: 208-079-5;Date of inclusion in the POPs Regulation: 15-Jun-2020;POPs Regulation Annex: Annex I, part A; Annex IV
Hazard Classes and Categories
Skin Irrit. 2 (78.5%);Eye Irrit. 2 (78.5%);STOT SE 3 (76.9%);Aquatic Chronic 4 (10.8%)
Hazardous to the aquatic environment (Long-term) - Category 4
法规信息
Regulatory Information
Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Heptadecafluoro-1-iodooctane;EC: 208-079-5;Date of inclusion in the POPs Regulation: 15-Jun-2020;POPs Regulation Annex: Annex I, part A; Annex IV
安全数据
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- 毒性
- LD50 ivn-mus: 7500 mg/kg MIVRA6 8,320,74
- RTECS号
- RG9700050
- hazard_note
- Harmful
- 包装类别
- III
- 危险等级
- 6.1(b)
- 存储类别
- 10 - Combustible liquids
- 安全说明
- 26-36-37/39
- 海关编码
- 29037800
- 危险品标志
- Xi
- 危险性类别
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 危险类别码
- 36/37/38
- 危险品运输编号
- UN 2922
化学与工业
药理信息
MeSH Pharmacological Classification
Substances used to allow enhanced visualization of tissues.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
Agents that increase energy expenditure and weight loss by neural and metabolic regulation.
用途与制造
Use Classification
PFAS -> PFalkyliodides (PFAI)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-: ACTIVE
应用领域
应用全氟辛基碘烷是有机合成中间体和医药中间体,可用于实验室研发过程和化工生产过程。
上下游产品信息
下游产品
试剂价格
- 26996 · 10g
- 全氟正辛基碘烷Perfluorooctyl iodide, 98%, Thermo Scientific Chemicals — 761元
- 26996 · 50g
- 全氟正辛基碘烷Perfluorooctyl iodide, 98%, Thermo Scientific Chemicals — 3136元
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