CAS 1476-23-9 Allyl isocyanate (HCID 15123)

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基本情報

CAS: 1476-23-9
標準SMILES: C=CCN=C=O
InChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-N
分子式: C4H5NO
平均分子量: 83.09 g/mol
単同位体質量: 83.03711378

概要

Allyl isocyanate is a member of isocyanates.

名称と識別子

優先名称: Allyl isocyanate
IUPAC: 3-isocyanatoprop-1-ene
現地名: アリルイソシアナート
英語名: ALLYL ISOCYANATE
分子式: C4H5NO
分子量: 83.09

名称と別名

Allyl isocyanate1476-23-93-isocyanatoprop-1-ene1-Propene, 3-isocyanato-3-Isocyanato-1-propeneISOCYANIC ACID, ALLYL ESTERDK4CJU9MCXNSC-96964DTXSID8061719RefChem:110873DTXCID3034797629-197-7

名称をさらに表示

2-プロペニルイソシアナートアリルイソシアナート3-イソシアナトプロプ-1-エンイソシアン酸アリルイソシアン酸アリル, 98%ALLYL ISOCYATEisocyanated’allyle3-isocyanato-1-propen1-propene,3-isocyanato-isocyanicacid,allylesterisocyanate isocyanate d'allyle

ALLylisoCYANATEPropene, 3-isocyanato-MFCD000020442-propenyl isocyanateNSC 96964BRN 0506106prop-2-enisocyanateUNII-DK4CJU9MCX

データベース識別子

CAS: 1476-23-9
PubChem CID: 15123
DTXSID: DTXSID8061719
ChEBI: CHEBI:192403
UNII: DK4CJU9MCX
EC Number: 629-197-7
Nikkaji: J27.134I

物性

構造計算による物性

XLogP: 1.8
極性表面積: 29.4 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: 81.5

実験および物理化学的性質

SpringerMaterials PropertiesDielectric constant

物理化学的性質

沸点: 87 · 87-89 °C(lit.)
比重(密度): 0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.417(lit.)
闪点: 110 °F · 110 °F
貯蔵温度: 2 · 2-8°C
外見: liquid
比重: 0.94 · 0.94
色: 黄色
水溶解度: 水中で加水分解します。
BRN: 506106 · 506106
InChI: 1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2
InChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-N
SMILES: C=CCN=C=O
CAS データベース: 1476 · 1476-23-9(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Propene, 3-isocyanato- (1476-23-9)

化学的性質

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (90.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P370+P378, P403, 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

Hazard Classes and CategoriesFlam. Liq. 3 (90.9%)

安全データ

F: 9-21-19
wgk: 3
tsca: TSCA listed
rtecs: NQ8175000
ridadr: UN 3080 6.1/PG 2
毒性: mouse,LD50,intravenous,18mg/kg (18mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03769,
hs_code: 29291090
risk_code: 36/37/38-42-34-23/24/25-10-42/43
hazard_code: Xn,T
safety_code: 23-26-36/37/39-45
hazard_class: 3
packing_group: III
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information1-Propene, 3-isocyanato-: ACTIVE

応用分野

使用It finds its application in the synthesis, characterization of biodegradable dextran-allyl isocyanate-ethylamine/polyethylene glycol-diacrylate hydrogels and their in vitro release of albumin.

一般的な説明The rate constants for the gas phase reactions of ozone, OH radical and NO(3) radical with allyl isocyanate (AIC) were studied.