메톡시아세토닐트릴

Methoxyacetonitrile

HCID 74442CAS 1738-36-9

기본 정보

표준 SMILES: COCC#N
InChIKey: QKPVEISEHYYHRH-UHFFFAOYSA-N
분자식: C3H5NO
평균 분자량: 71.08 g/mol
단동위원소 질량: 71.03711378

개요

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.

이름 및 식별자

우선 이름: Methoxyacetonitrile
IUPAC: 2-methoxyacetonitrile
현지명: 메톡시아세토닐트릴
영어명: Methoxyacetonitrile
분자식: C3H5NO
분자량: 71.08

이름 및 동의어

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

이름 더 보기

메톡시아세토닐트릴메톡시아세토나이트릴methoxy-acetonitrilMethoxy acetonitirleAcetonitrile,methoxy-2-methoxyethanenitrileMethoxyacetonitrile>Acetonitrile, methoxy-

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 51.2

실험 및 물리화학적 성질

SpringerMaterials PropertiesMolecular structure

물리화학적 성질

녹는점: 97 °C · 97 °C
끓는 점: 118 · 118-119 °C/731 mmHg (lit.)
밀도: 0.956 g/mL · 0.956 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.381(lit.)
인화점: 89 °F · 89 °F
저장 조건: 2 · 2-8°C
수용성: 물에 불용성
용해도: soluble in Chloroform, Ethyl Acetate
물리적 상태: 액체
색상: 무색~황색으로 투명함
BRN: 1738014 · 1738014
InChI: 1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
InChIKey: QKPVEISEHYYHRH-UHFFFAOYSA-N
SMILES: COCC#N
NIST: Methoxyacetonitrile(1738-36-9)
EPA: Acetonitrile, methoxy- (1738-36-9)

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
HS 번호: 29269090
risk_code: 10-20/21/22
hazard_code: Xn,Xi
safety_code: 14-36/37
포장분류: III
위험 등급: 3.2
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3
스토리지 클래스: 3 - Flammable liquids