Methoxyacetonitrile (HCID 74442)

概要

Methoxyacetonitrile is an aliphatic nitrile that is acetonitrile in which one of the methyl hydrogens is substituted by a methoxy group. It has a role as a polar solvent. It is an ether and an aliphatic nitrile.

名称と識別子

優先名称: Methoxyacetonitrile
IUPAC: 2-methoxyacetonitrile
現地名: メトキシアセトニトリル
英語名: Methoxyacetonitrile
分子式: C3H5NO
分子量: 71.08

名称と別名

Methoxyacetonitrile1738-36-9Acetonitrile, methoxy-Acetonitrile, 2-methoxy-NCCH2OCH3EINECS 217-092-5NSC 26905DTXSID2061937RefChem:157060DTXCID9035549217-092-5InChI=1/C3H5NO/c1-5-3-2-4/h3H2,1H

名称をさらに表示

メトキシアセトニトリル2-メトキシアセトニトリルmethoxy-acetonitrilMethoxy acetonitirleAcetonitrile,methoxy-2-methoxyethanenitrileMethoxyacetonitrile>Acetonitrile, methoxy-

QKPVEISEHYYHRH-UHFFFAOYSA-N2-methoxyacetonitrileMFCD00001892methoxyethanenitrileNSC26905methoxymethyl cyanide2-methoxy acetonitrile2-methoxy-acetonitrile

データベース識別子

CAS: 1738-36-9
PubChem CID: 74442
DTXSID: DTXSID2061937
ChEBI: CHEBI:234492
EC Number: 217-092-5
Nikkaji: J148.020K

物性

構造計算による物性

XLogP: -0.1
極性表面積: 33 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: 1
重原子数: 5
形式電荷: 0
複雑度: 51.2

実験および物理化学的性質

SpringerMaterials PropertiesMolecular structure

物理化学的性質

融点: 97 °C · 97 °C
沸点: 118 · 118-119 °C/731 mmHg (lit.)
比重(密度): 0.956 g/mL · 0.956 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.381(lit.)
闪点: 89 °F · 89 °F
貯蔵温度: 2 · 2-8°C
水溶解度: Insoluble in water
溶解性: soluble in Chloroform, Ethyl Acetate
外見: 液体
色: 無色透明～黄色
BRN: 1738014 · 1738014
InChI: 1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
InChIKey: QKPVEISEHYYHRH-UHFFFAOYSA-N
SMILES: COCC#N
CAS データベース: 1738 · 1738-36-9(CAS DataBase Reference)
NISTの化学物質情報: Methoxyacetonitrile(1738-36-9)
EPAの化学物質情報: Acetonitrile, methoxy- (1738-36-9)

化学的性質

化学的特性Colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationMethoxyacetonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29269090
risk_code: 10-20/21/22
消防法: 危-4-2-III
hazard_code: Xn,Xi
safety_code: 14-36/37
hazard_class: 3.2
packing_group: III
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3
ストレージクラス: 3 - Flammable liquids