2-Oxopropiononitrile (HCID 69430)

名称と識別子

優先名称: 2-Oxopropiononitrile
IUPAC: acetyl cyanide
現地名: 1-シアノエタナール
英語名: PYRUVONITRILE
分子式: C3H3NO
分子量: 69.06

名称と別名

Pyruvonitrile631-57-2Propanenitrile, 2-oxo-2-Oxopropiononitrile2-OxopropionitrileOxopropionitrileOxypropionitrilePyruvic acid nitrile.alpha.-Oxopropionitrile2-OxopropanenitrileNSC-91482UNII-ULO441649V

名称をさらに表示

ピルボニトリル1-シアノエタノン2-オキソプロパンニトリル2-オキソプロピオニトリルピルボシアニド2-オキソプロピオノニトリル1-シアノエタナールアセチルシアニドACETYL CYANIDEPyuvoitrilePyruvocyanide1-Cyanoethanal1-CyanoethanonePyruvonitrile 90%

ULO441649VEINECS 211-159-2CH3C(O)CNAI3-28761DTXSID10212430NSC 914822OxopropionitrilePropanenitrile, 2oxo

データベース識別子

CAS: 631-57-2
PubChem CID: 69430
DTXSID: DTXSID10212430
UNII: ULO441649V
EC Number: 211-159-2
Nikkaji: J6.893D

物性

構造計算による物性

XLogP: -0.1
極性表面積: 40.9 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: 0
重原子数: 5
形式電荷: 0
複雑度: 86.3

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionYellow liquid; [Sigma-Aldrich MSDS]

物理化学的性質

沸点: 92 · 92-93 °C(lit.)
比重(密度): 0.974 g/mL · 0.974 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.376(lit.)
闪点: 58 °F · 58 °F
貯蔵温度: 2 · 2-8°C
溶解性: エーテルおよびアセトニトリルに可溶。
外見: 液体
色: 無色～褐色
BRN: 1737633 · 1737633
InChI: 1S/C3H3NO/c1-3(5)2-4/h1H3
InChIKey: QLDHWVVRQCGZLE-UHFFFAOYSA-N
SMILES: CC(=O)C#N
CAS データベース: 631 · 631-57-2

化学的性質

化学的特性Pyruvonitrile has a boiling point of 92.3 °C and a density of 0.9745 g/cm3.

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, P261, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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

Regulatory InformationPropanenitrile, 2-oxo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryContains 5-10% mesitylene (CAS# 108-67-8); A skin and respiratory tract irritant; Toxic by ingestion and inhalation; [Sigma-Aldrich MSDS] See 3-Bromopropionitrile and Propionitrile.

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

毒性情報

Adverse EffectsOther Poison - Chemical Asphyxiant

安全データ

F: 8-10-13
wgk: 3
ridadr: UN 3273 3/PG 2
risk_code: 11-23/25-51/53-37/38
hazard_code: F,T,N
safety_code: 45-61-36/37-16
hazard_class: 3.1
packing_group: II
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids