디에톡시아세토니트릴

Acetonitrile, 2,2-diethoxy-

HCID 80223CAS 6136-93-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(C#N)OCC
InChIKey: UDELMRIGXNCYLU-UHFFFAOYSA-N
분자식: C6H11NO2
평균 분자량: 129.16 g/mol
단동위원소 질량: 129.07897859

이름 및 식별자

우선 이름: Acetonitrile, 2,2-diethoxy-
IUPAC: 2,2-diethoxyacetonitrile
현지명: 디에톡시아세토니트릴
영어명: Diethoxyacetonitrile
분자식: C6H11NO2
분자량: 129.16

이름 및 동의어

Diethoxyacetonitrile6136-93-2Acetonitrile, 2,2-diethoxy-EINECS 228-111-1RefChem:552406228-111-12,2-diethoxyacetonitrileAcetonitrile, diethoxy-MFCD000439822,2-diethoxyethanenitrilecyanodiethoxymethane1,1-Diethoxyacetonitrile

이름 더 보기

디에톡시아세토니트릴diethoxy-acetonitril2,2-Diethoxyacetonitrile,98%DIETHOXYACETONITRILE ISO 9001：2015 REACHChina biggest manufacturer DIETHOXYACETONITRILE 6136-93-2

Diethoxyacetonitrile, 97%SCHEMBL442012DTXSID0064121SBB056427AKOS015843383AB01964CS-W013452AS-18953

데이터베이스 식별자

CAS: 6136-93-2
PubChem CID: 80223
DTXSID: DTXSID0064121
EC Number: 228-111-1
Nikkaji: J227.318G

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 42.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 98.9

물리화학적 성질

녹는점: -19 · -19--18 °C (lit.)
끓는 점: 167.7 °C/773 · 167.7 °C/773 mmHg (lit.)
밀도: 0.929 g/mL · 0.929 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4(lit.)
인화점: 121 °F · 121 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: liquid
InChI: InChI=1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3
InChIKey: UDELMRIGXNCYLU-UHFFFAOYSA-N
SMILES: C(#N)C(OCC)OCC
EPA: Acetonitrile, diethoxy- (6136-93-2)

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, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
HS 번호: 2926907090
risk_code: 10-20/21/22-36/37/38
hazard_code: Xn
safety_code: 16-26-27-36/37/39
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

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetonitrile, 2,2-diethoxy-: INACTIVE

응용 분야 · 2건

용도Diethoxyacetonitrile may be used in the preparation of methyl 5-diethoxymethylimidazole-4-carboxylate, via anionic cycloaddition reaction with methyl isocyanoacetate.

일반 설명Diethoxyacetonitrile is a 2,2-dialkoxyalkanenitrile derivative. Reaction of hydrocyanic acid with various ortho esters of aliphatic and aromatic acids in the presence of acidic catalyst has been reported to afford diethoxyacetonitrile. Houben-Hoesch reaction of diethoxyacetonitrile with 1,2,4-trimethoxybenzene affords tris(2,4,5-trimethoxyphenyl)methane.