基本情報
- 標準SMILES
CCCCI- InChIKey
KMGBZBJJOKUPIA-UHFFFAOYSA-N- 分子式
- C4H9I
- 平均分子量
- 184.02 g/mol
- 単同位体質量
- 183.97489829
概要
butyl iodide has been reported in Ascophyllum nodosum, Mastocarpus stellatus, and other organisms with data available.
名称と識別子
- 優先名称
- Butyl iodide
- IUPAC
- 1-iodobutane
- 現地名
- 1-ヨードブタン
- 英語名
- 1-Iodobutane
- 分子式
- C4H9I
- 分子量
- 184.02
名称と別名
名称をさらに表示
データベース識別子
- CAS
25267-27-0、542-69-8- PubChem CID
- 10962
- DTXSID
DTXSID70862157- UNII
- 607A6CC46R
- EC Number
- 208-824-4
- Nikkaji
- J2.644A
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 2
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 13.1
実験および物理化学的性質
物理化学的性質
- 融点
- 103 °C · −103 °C(lit.)
- 沸点
- 130 · 130-131 °C(lit.)
- 比重(密度)
- 1.617 g/mL · 1.617 g/mL at 25 °C(lit.)
- 蒸気密度
- 5 · ~5 (vs air)
- 蒸気圧
- 18.5 hPa · 18.5 hPa (25 °C)
- 屈折率
- 20 · n20/D 1.498(lit.)
- 闪点
- 92 °F · 92 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- アルコール:可溶
- 外見
- 液体
- 色
- 無色透明~淡黄色または薄桃色
- 水溶解度
- 水に不溶。
- Merck
- 14 · 14,1573
- BRN
- 1420755 · 1420755
- Henry's Law Constant
- 6.9 · 6.9×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
- Dielectric constant
- 4.5 · 4.5(130℃)
- 安定性
- 安定。とても燃えやすい。強力な酸化剤とは相容れない。光に敏感。
- InChI
- 1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3
- InChIKey
- KMGBZBJJOKUPIA-UHFFFAOYSA-N
- SMILES
- CCCCI
- CAS データベース
- 542 · 542-69-8(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · Butane, 1-iodo-(542-69-8)
- EPAの化学物質情報
- 1 · Butane, 1-iodo- (542-69-8)
化学的性質
化学的特性colorless liquid. Soluble in chloroform, miscible with ethanol and ether, insoluble in water, and will change color when exposed to light or left for a long time.
安全と法規制
GHS分類
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Butane, 1-iodo-
1-Iodobutane: Does not have an individual approval but may be used under an appropriate group standard
毒性情報
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EK4400000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29033080
- risk_code
- 10-20-36/37/38-20/22
- 化審法
- (2)-63
- 安衛法
- 57,57-2
- 消防法
- 危-4-2-III
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 16-36-36/37/39-26
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 InhalationFlam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
薬理情報
用途と製造
応用分野
使用1-Iodobutane was used in the synthesis of S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. It is also used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.
一般的な説明Thermal chemistry of 1-iodobutane has been investigated on clean and hydrogen- and deuterium-predosed Pt(111) single-crystal surfaces by temperature-programmed desorption and reflection-absorption infrared spectroscopy.
調製方法
製造方法1-Iodobutane is obtained by reacting n-butanol with iodine in the presence of phosphorus.
純化方法Dry the iodide with MgSO4 or P2O5, fractionally distil it through a column packed with glass helices, taking the middle fraction and storing over calcium or mercury in the dark. Alternatively purify it by prior passage through activated alumina or by shaking with conc H2SO4 then washing with Na2SO3 solution. It has also been treated carefully with sodium to remove free HI and H2O, before distilling through a column containing copper turnings at the top. Another purification procedure consisted of treatment with bromine, followed by extraction of free halogen with Na2S2O3, washing with H2O, drying and fractionally distilling. [Beilstein 1 IV 271.]
上流・下流製品情報
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