CAS 513-48-4 2-Iodobutane (HCID 10559)

概要

2-iodobutane appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals and as a solvent.

名称と識別子

優先名称: 2-Iodobutane
IUPAC: 2-iodobutane
現地名: 2-ヨードブタン
英語名: 2-Iodobutane
分子式: C4H9I
分子量: 184.02

名称と別名

2-IODOBUTANEsec-Butyl iodideButane, 2-iodo-NSC 8422EINECS 208-163-1UN2390UNII-4302E40S4NBRN 17187774302E40S4Nsec-C4H9INSC-84222-01-00-00086 (Beilstein Handbook Reference)

名称をさらに表示

2-ヨードブタンsec-ブチルヨージド1-メチルプロピルヨージドよう化sec-ブチル2-ヨードブタンヨウ化SEC-ブチルヨウ化物2-ヨードブタンヨウ化物2‐ヨードブタン2-ヨードブタン, 99%2-Iodbutan2-Jodbutan2-iodo-butan2-Butyliodidebutane,2-iodo-S-BUTYL IODIDE2-Butyl Iodidesec-Iodobutane

IQRUSQUYPCHEKN-UHFFFAOYSA-DTXSID40858729SEC-BUTYL IODIDE DL-FORM [MI]UN 2390secIodobutane2iodobutane2Jodbutan2Butyl iodide

データベース識別子

CAS: 513-48-4
PubChem CID: 10559
DTXSID: DTXSID40858729
UNII: 4302E40S4N
EC Number: 208-163-1
Nikkaji: J2.621B

物性

構造計算による物性

XLogP: 2.8
極性表面積: 0 Å²
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: 1
重原子数: 5
形式電荷: 0
複雑度: 19.6

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Halogenated Aliphatics, Saturated

Flammable agents - 3rd degree

Vapor Pressure17.1 [mmHg]

Physical Description · 2 件

2-iodobutane appears as a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals and as a solvent.

Colorless liquid with an ether-like odor; [Alfa Aesar MSDS]

物理化学的性質

融点: -104 °C · -104 °C (lit.)
沸点: 119 · 119-120 °C (lit.)
比重(密度): 1.598 g/mL · 1.598 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.499(lit.)
闪点: 75 °F · 75 °F
貯蔵温度: Flammables area
溶解性: アルコール: 可溶(lit.)
外見: clear liquid
色: Colorless to Red to Green
水溶解度: 水に不溶。アルコール、ジエチルエーテルに可溶。
Merck: 14 · 14,1574
BRN: 1718777 · 1718777
Henry's Law Constant: 5 · 5.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
安定性: 安定。可燃性。強力な酸化剤とは相容れない。光に敏感。
InChI: 1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3
InChIKey: IQRUSQUYPCHEKN-UHFFFAOYSA-N
SMILES: CCC(C)I
CAS データベース: 513 · 513-48-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · Butane, 2-iodo-(513-48-4)
EPAの化学物質情報: 2 · Butane, 2-iodo- (513-48-4)

化学的性質

化学的特性liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (11.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

2-Iodobutane: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid

Fire Hazards · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Isopropyl iodide. See 2-Bromobutane.

DOT ID and Guide2390 129

安全と保護具

Fire FightingExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Isolation and Evacuation · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Immediate precautionary measure

安全データ

F: 8
wgk: 3
tsca: TSCA listed
rtecs: EK4410000
ridadr: UN 2390
hs_code: 29033080
risk_code: 10-36/37/38
安衛法: 57,57-2
消防法: 危-4-2-III
hazard_code: Xi,F
hazard_note: Irritant/Flammable/Light Sensitive
safety_code: 26-36
hazard_class: 3
packing_group: II
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

UsesUsed as a solvent and to make other chemicals; [CAMEO]

General Manufacturing InformationButane, 2-iodo-: ACTIVE

応用分野

使用It is used as a solvent organic synthesis and as pharmaceutical intermediate.

一般的な説明2-iodobutane is a colorless liquid. Less dense than water. Vapors heavier than air. Used to make other chemicals and as a solvent.

調製方法 · 1 件

純化方法Purify the iodide by shaking with conc H2SO4, then washing it with water, aqueous Na2SO3 and again with water. Dry (MgSO4) and distil. Alternatively, pass it through a column of activated alumina before distillation, or treat with bromine, followed by extraction of the free halogen with aqueous Na2S2O3, thoroughly washing with water, drying and distilling. It is stored over silver powder and distilled before use. [Beilstein 1 IV 272.]