Vinyl chloroformate (HCID 78808)

名称と識別子

優先名称: Vinyl chloroformate
IUPAC: ethenyl carbonochloridate
現地名: クロロぎ酸ビニル
英語名: Vinyl chloroformate
分子式: C3H3ClO2
分子量: 106.51

名称と別名

Vinyl chloroformate5130-24-5ethenyl carbonochloridate9DJ5DDM7G9Carbonochloridic acid, ethenyl esterEINECS 225-874-2chloroformic acid vinyl esterDTXSID30199299RefChem:901916DTXCID10121790225-874-2vinyl carbonochloridate

名称をさらに表示

クロロギ酸ビニルクロロぎ酸エテニルカルボノクロリド酸エテニルクロリド炭酸エテニルクロリド炭酸ビニルエテニルカルボノクロリダートVinyl chlorocarbonateVinylchloroformate99%Vinyl chloroformate 98%Vinyloxycarbonyl chlorideVINYL CHLOROFORMATE, STAB.Ethenyl carbonochloridoateChloroformic acid ethenyl esterVinyl Chloroformate DISCONTINUED

vinylchloroformateethenyl chloroformateUNII-9DJ5DDM7G9Vinyl chloroformate, 94%Vinyl chloroformate, 99%SCHEMBL197073STR07467MFCD00000641

データベース識別子

CAS: 5130-24-5
PubChem CID: 78808
DTXSID: DTXSID30199299
UNII: 9DJ5DDM7G9
EC Number: 225-874-2
Nikkaji: J203.322D

物性

構造計算による物性

XLogP: 1.7
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 69.2

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Acid Halides

Vapor Pressure45.5 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

沸点: 68 · 68-69 °C735 mm Hg(lit.)
比重(密度): 1.166 g/mL · 1.166 g/mL at 20 °C(lit.)
蒸気圧: 0.88 psi · 0.88 psi ( 20 °C)
屈折率: 20 · n20/D 1.41(lit.)
闪点: 24 °F · 24 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
色: 無色透明
BRN: 1741679 · 1741679

化学的性質

化学的特性clear colourless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Carbonochloridic acid, ethenyl ester

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Allyl chloroformate.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全と保護具

Exposure Control and Personal Protection · 1 件

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 10-21-19
wgk: 3
ridadr: UN 3390 6.1/PG 1
hs_code: 29159000
risk_code: 23/24/25-34-11
hazard_code: F,T
safety_code: 16-26-36-45-36/37
hazard_class: 6.1(a)
packing_group: II

化学と産業

応用分野

使用Vinyl Chloroformate was used to prepare analogues of the Nicotinic Acetylcholine Receptor Agonist (±)-UB-165. It was also used to synthesize possible antitumor agents such as paclitaxel-2''-carbonates and N-carbamyl triazenes.

調製方法 · 1 件

純化方法It has been fractionated through a Todd column (p 11, Model A with ~60 plates) under atmospheric pressure and the purity can be checked by gas chromatography. Stabilize it with 0.5% of 2,6-di-tert-butyl-p-cresol. It has IR with at 3100 + 2870 (CH2), 1780 (C=O), 1640 (C=C) and 940 (CH2out-of-plane) and 910 (CH2 wagging) cm-1. [IR: Lee J Org Chem 30 3943 1965, Levaillant Ann Chim (Paris) 6 504 1936.] It is used for protecting NH2 groups in peptide synthesis [Olofson et al. Tetrahedron Lett 1563 1977]. [Beilstein 3 III 28.]