Butylimidazole (HCID 61347)

概要

N,n-butyl imidazole appears as a colorless to light yellow colored liquid. Insoluble in water and more dense than water. Hence sinks in water. Contact may irritate skin, eyes or mucous membranes. Toxic by ingestion, inhalation or skin absorption.

名称と識別子

優先名称: Butylimidazole
IUPAC: 1-butylimidazole
現地名: 1-ブチルイミダゾール
英語名: 1-Butylimidazole
分子式: C7H12N2
分子量: 124.18

名称と別名

1-BUTYLIMIDAZOLE4316-42-11-butyl-1H-imidazole1H-Imidazole, 1-butyl-1-N-ButylimidazoleButylimidazoleC7JXC99E8FNSC-158165DTXSID8073976butyl imidazoleRefChem:571854DTXCID7040239

名称をさらに表示

1-ブチルイミダゾール1-ブチル-1H-イミダゾールＮ，ｎ－ブチルイミダゾールN-(n-ブチル)イミダゾールＮ-ブチルイミダゾールSKL15591-Butyl-1-N-ButyLN-BUTYL IMIDAZOLEButyl-N-imidazole1-buthylimidazoleN-Butyl-1H-imidazole

224-335-9N-ButylimidazoleN-(n-Butyl)imidazoleMFCD00042753N-n-butylimidazoleEINECS 224-335-9n-n-butyl imidazoleNSC158165

データベース識別子

CAS: 4316-42-1
PubChem CID: 61347
DTXSID: DTXSID8073976
ChEMBL: CHEMBL97667
UNII: C7JXC99E8F
EC Number: 224-335-9
Nikkaji: J61.488B

物性

構造計算による物性

XLogP: 1.2
極性表面積: 17.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 9
形式電荷: 0
複雑度: 73.3

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Imidazoles

Physical Description · 2 件

N,n-butyl imidazole appears as a colorless to light yellow colored liquid. Insoluble in water and more dense than water. Hence sinks in water. Contact may irritate skin, eyes or mucous membranes. Toxic by ingestion, inhalation or skin absorption.

Colorless to light yellow liquid; [CAMEO] Colorless liquid with an amine-like odor; [Alfa Aesar MSDS]

物理化学的性質

沸点: 114 · 114-116 °C12 mm Hg(lit.)
比重(密度): 0.945 g/mL · 0.945 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.480(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Refrigerator
溶解性: クロロホルム、メタノールに可溶。
酸解離定数(Pka): 7.09 · 7.09±0.10(Predicted)
外見: clear liquid
色: Colorless to Light yellow to Light orange
比重: 0.948 · 0.948
爆発限界(explosive limit): 2.7 · 2.7-15.7%(V)
BRN: 109499 · 109499
InChI: 1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3
InChIKey: MCMFEZDRQOJKMN-UHFFFAOYSA-N
SMILES: CCCCn1ccnc1
CAS データベース: 4316 · 4316-42-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Butylimidazole(4316-42-1)
EPAの化学物質情報: 1 · 1-Butylimidazole (4316-42-1)

化学的性質

化学的特性Clear Colorless Oil

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

DOT LabelPoison

Fire HazardsExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:

Health HazardsExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:

Hazards SummaryMay cause irritation; Toxic by ingestion, inhalation, and skin absorption; [CAMEO] An irritant that may cause serious eye injury; Highly toxic by inhalation; [Alfa Aesar MSDS]

Reactive GroupAmines, Phosphines, and Pyridines

Reactivity Profile · 1 件

N,N-BUTYL IMIDAZOLE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

安全と保護具

Fire FightingExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:

First AidExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:

Nonfire Spill ResponseExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:

Isolation and EvacuationExcerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:

毒性情報

Toxicity DataLC50 (rat) = 110 mg/m3/4hr

安全データ

wgk: 3
ridadr: UN 2690
hs_code: 29332990
risk_code: 37/38-41
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-39
hazard_class: 6.1
packing_group: II
Hazard Classifications: Acute Tox. 2 InhalationEye Dam. 1Skin Corr. 1B
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用1-Butylimidazole may be used in the synthesis of a heterocyclic mesomeric betaine. It was used in the synthesis of 1-(1-butyl-3-imidazolio)propane-3-sulfonate (BIm3S).

一般的な説明A colorless to light yellow colored liquid. Insoluble in water and more dense than water. Hence sinks in water. Contact may irritate skin, eyes or mucous membranes. Toxic by ingestion, inhalation or skin absorption.

上流・下流製品情報

上流原料

1-ブチル-1H-イミダゾール-2-チオール 1H-イミダゾール-1-イルナトリウム 3-n-Butyl-2-thiohydantoin, 95%炭酸ジブチル 1,2-Ethenediylbis(oxy) (9CI)1-ブタノールイソチオシアン酸ブチル 1-クロロブタン n-ブチルアミンホルマリン 1-ブロモブタンイミダゾール

下流製品

1-ブチル-3-メチルイミダゾリウムヘキサフルオロホスファート 1-プロピル-1H-イミダゾール 1-ブチル-3-メチルイミダゾリウムヨージド 1-Butyl-3-methylimidazolium nitrate

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1-ブチルイミダゾール

基本情報

概要