2-Iodo-2-methylpropane 分子结构式
HCID11206

2-Iodo-2-methylpropane

C4H9I184.02 g/molCAS 558-17-8

IDENTITY

结构与身份

标准SMILES
CC(C)(C)I
InChIKey
ANGGPYSFTXVERY-UHFFFAOYSA-N
分子式
C4H9I
平均分子量
184.02 g/mol
单同位素质量
183.9749

COMPUTED

结构计算性质

已同步
XLogP
2.7
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
5
形式电荷
0
复杂度
25

PROPERTIES

实验与物化性质

来源:PubChem
Kovats Retention Index

698.1;698

686;694;699;715;694.5

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (88.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, 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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Flam. Liq. 2 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (95.6%);Aquatic Acute 1 (88.9%)

USES

用途与制造

来源:PubChem
General Manufacturing Information

Propane, 2-iodo-2-methyl-: INACTIVE

ALIASES

名称与别名

共 32 条
tert-Butyl iodide2-Iodo-2-methylpropaneTrimethyliodomethanePROPANE, 2-IODO-2-METHYL-t-butyl iodideUNII-E5HY19G10PEINECS 209-190-1E5HY19G10P2-methyl-2-iodopropaneBRN 0505950tert-C4H9I1,1-dimethylethyl iodide4-01-00-00300 (Beilstein Handbook Reference)BUTYL IODIDE, TERT-DTXSID3060328RefChem:87649DTXCID2041969ANGGPYSFTXVERY-UHFFFAOYSA-NInChI=1/C4H9I/c1-4(2,3)5/h1-3H558-17-8

REACTIONS

参与反应

6
HRID 30451 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07423147B2

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HRID 599357 反应方程式

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07897774B2

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HRID 813023 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 1590945 反应方程式

uspto-grants-1993_04 · 10.6084/m9.figshare.5104873.v1 · US05204473

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HRID 2129750 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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HRID 2194756 反应方程式

uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08334295B2

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