CAS 1072-63-5 1-Vinylimidazole (HCID 66171)

概要

structure in first source

名称と識別子

優先名称: 1-Vinylimidazole
IUPAC: 1-ethenylimidazole
現地名: 1-ビニルイミダゾール
英語名: 1-Vinylimidazole
分子式: C5H6N2
分子量: 94.11

名称と別名

1-Vinylimidazole1072-63-5N-Vinylimidazole1-ethenyl-1H-imidazole1H-Imidazole, 1-ethenyl-ODY9ION63ADTXSID0061458N-VI cpdRefChem:7907DTXCID8033061214-012-01-Vinyl-1H-imidazole

名称をさらに表示

1-ビニルイミダゾールn-ビニルイミダゾール1-ビニル-1H-イミダゾール1-エテニル-1H-イミダゾール1ビニルイミダゾール1-ビニルイミダゾール, 99%VINYL IMIDAZOLEN-VINYL IMIDAZOLESKL15551-VinylimidazolVinylimidazole VImVinyliMidazole,99+%1-ethenyl-1h-imidazol

Vinylimidazole1-ethenylimidazole1H-Imidazole, ethenyl-MFCD0000529729383-23-1LufixanEINECS 214-012-0UNII-ODY9ION63A

データベース識別子

CAS: 1072-63-5、25232-42-2、29383-23-1
PubChem CID: 66171
DTXSID: DTXSID0061458
ChEMBL: CHEMBL3929571
UNII: ODY9ION63A
EC Number: 214-012-0、608-353-8
Nikkaji: J26.587J

物性

構造計算による物性

XLogP: 0.5
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: 1
重原子数: 7
形式電荷: 0
複雑度: 70.5

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Imidazoles

Vapor Pressure0.38 [mmHg]

Physical Description · 2 件

Liquid

Yellow liquid with an odor like amines; [BASF MSDS]

物理化学的性質

融点: 78 · 78-79°C
沸点: 192 · 192-194 °C (lit.) 78-79 °C/13 mmHg (lit.)
比重(密度): 1.039 g/mL · 1.039 g/mL at 25 °C (lit.)
蒸気圧: 38 Pa · 38Pa at 20℃
屈折率: 20 · n20/D 1.533(lit.)
闪点: 178 °F · 178 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: アセトニトリル（微量）、クロロホルム（微量）
外見: 油
酸解離定数(Pka): 6.07 · 6.07±0.10(Predicted)
色: 無色
臭い (Odor): Amines-like odor
水溶解度: 水と混和します。
BRN: 105321 · 105321
安定性: 安定。吸湿性。強力な酸化剤とは相容れない。
InChI: 1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2
InChIKey: OSSNTDFYBPYIEC-UHFFFAOYSA-N
SMILES: C=Cn1ccnc1
LogP: 0.54 at · 0.54 at 25℃
CAS データベース: 1072 · 1072-63-5(CAS DataBase Reference)
NISTの化学物質情報: N-vinylimidazole(1072-63-5)
EPAの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 1-ethenyl- (1072-63-5)

化学的性質

化学的特性Brown liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H360D: May damage the unborn child [Danger Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Danger

H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 6 件

Chemical: 1H-Imidazole, 1-ethenyl-

Hazard Traits - Reproductive Toxicity

1H-Imidazole, 1-ethenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole, 1-ethenyl- 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)

Status: Active Update: 17-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12790

Substance: 1-vinylimidazole

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

Other Safety InformationEvaluation - 1H-Imidazole, 1-ethenyl- (N-vinyl imidazole)

Hazards SummaryNot a skin irritant; May cause serious eye injury; Chronic exposure may cause liver injury; [BASF MSDS]

Hazard Classes and Categories · 3 件

Acute Tox. 4 (99.8%)

Reproductive toxicity - category 1B

Repr. 1B

安全データ

F: 10
wgk: 3
tsca: TSCA listed
ridadr: UN 3267 8/PG 2
hs_code: 29339900
risk_code: 22-34-41
化審法: (5)-5990
消防法: 危-4-3-III
hazard_code: C,F
hazard_note: Flammable/Light Sensitive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Repr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

UsesA monomer; [ExPub: EPA - TSCATS] Used to make and/or formulate industrial products; [BASF MSDS]

U.S. Production2023: <75,000 lb

Consumer UsesEmulsifier

Industry UsesNot Known or Reasonably Ascertainable

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1H-Imidazole, 1-ethenyl-: ACTIVE

応用分野 · 1 件

使用1-Vinylimidazole is used as a monomer in the synthesis of molecularly imprinted polymers. It is involved in the removal of vinyl protecting groups with an isoprene-catalyzed lithiation process. Also, it is involved in the preparation of magnetic-poly(divinylbenzene-1-vinylimidazole) microbeads. Further, it is used to prepare ion imprinted polyvinylimidazole-silica hybrid copolymer.