シアノぎ酸 エチル

Ethyl cyanoformate

HCID 69336CAS 623-49-4
部分構造検索類似構造を探す

基本情報

標準SMILES
CCOC(=O)C#N
InChIKey
MSMGXWFHBSCQFB-UHFFFAOYSA-N
分子式
C4H5NO2
平均分子量
99.09 g/mol
単同位体質量
99.0320284

名称と識別子

優先名称
Ethyl cyanoformate
IUPAC
ethyl cyanoformate
現地名
シアノぎ酸 エチル
英語名
Ethyl cyanoformate
分子式
C4H5NO2
分子量
99.09

名称と別名

Ethyl cyanoformate623-49-4ETHYL CARBONOCYANIDATECarbonocyanidic acid, ethyl ester2-ETHOXY-2-OXOACETONITRILECyanoformic Acid Ethyl EsterFormic acid, cyano-, ethyl esterCYANOCARBONYLOXYETHANEI56GWI2QQ5NCCOOC2H5EINECS 210-797-9NSC 65347
名称をさらに表示
シアノぎ酸 エチルカルボノシアニド酸エチルエステルシアノぎ酸エチルシアノ酸エチルシアノ蟻酸エチルcyanoformateEthyl cyanocarbonateEthylcyanoformate,99%Ethyl cyanoformate 99%
NSC-65347UNII-I56GWI2QQ5C2H5OC(O)CNETHOXYCARBONYL CYANIDECyanoformic acid, ethyl esterDTXSID0060771RefChem:138900DTXCID9043302

データベース識別子

CAS
623-49-4
PubChem CID
69336
DTXSID
DTXSID0060771
UNII
I56GWI2QQ5
EC Number
210-797-9
Nikkaji
J134.607E

物性

構造計算による物性

XLogP
0.6
極性表面積
50.1 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
2
重原子数
7

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesChemical shift
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

沸点
115 · 115-116 °C (lit.)
比重(密度)
1.003 g/mL · 1.003 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.381(lit.)
闪点
76 °F · 76 °F
貯蔵温度
2 · Inert atmosphere,2-8°C
溶解性
クロロホルムおよびメタノールと混和します。

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

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, 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 48 reports by companies from 5 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

Chemical: Carbonocyanidic acid, ethyl ester

Ethyl cyanoformate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryHydrolyzed by water; Causes burns; Toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See NITRILES.
Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)

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 EffectsOther Poison - Chemical Asphyxiant

安全データ

F
10-19-21
wgk
3
tsca
TSCA listed
ridadr
UN 3275 6.1/PG 2
hs_code
29269090
risk_code
10-23/24/25-34-36/37/38

化学と産業

用途と製造

General Manufacturing InformationCarbonocyanidic acid, ethyl ester: INACTIVE

応用分野

用途有機合成原料。

使用Ethyl cyanoformate is used as reagent in the preparation of N-substituted amindinoformic acid and ethyl-4-quinazoline -2-carboxylate.

調製方法 · 1 件

純化方法Dissolve the cyanoformate in Et2O, dry it over Na2SO4, filter, evaporate and distil it [Malachowsky et al. Chem Ber 70 1016 1937, Adickes et al. J Prakt Chem [2] 133 313 1932, Grundmann et al. Justus Liebigs Ann Chem 577 77 1952]. [Beilstein 2 IV 1862.]

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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