2-(Ethoxymethylene)propanedinitrile (HCID 67152)

개요

structure given in first source

이름 및 식별자

우선 이름: 2-(Ethoxymethylene)propanedinitrile
IUPAC: 2-(ethoxymethylidene)propanedinitrile
영어명: Ethoxymethylenemalononitrile
분자식: C6H6N2O
분자량: 122.12

이름 및 동의어

Ethoxymethylenemalononitrile123-06-8(Ethoxymethylene)malononitrilePropanedinitrile, (ethoxymethylene)-2-Cyano-3-ethoxyacrylonitrile(Ethoxymethylene)propanedinitrileMalononitrile, (ethoxymethylene)-2-(ethoxymethylene)propanedinitrile91PS2PWB1QNSC-27792DTXSID3059551ethoxymethylene-MN

이름 더 보기

ononitriLusafkf-10NSC 27792USAF KF-10usafa-9230

RefChem:592835DTXCID2033786204-597-0ETHOXYMETHYLENEMALONITRILE2-(Ethoxymethylene)malononitrile2-(ethoxymethylidene)propanedinitrileEthoxymethylene malononitrileUSAF A-9230

데이터베이스 식별자

CAS: 123-06-8
PubChem CID: 67152
DTXSID: DTXSID3059551
UNII: 91PS2PWB1Q
EC Number: 204-597-0
Nikkaji: J1.508C

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 56.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 182

물리화학적 성질

녹는점: 64 · 64-66 °C(lit.)
끓는 점: 160 °C12 · 160 °C12 mm Hg(lit.)
밀도: 1.2236 · 1.2236 (rough estimate)
굴절률: 1.4738 · 1.4738 (estimate)
인화점: 155 °C · 155 °C
저장 조건: Inert atmosphere,Room Temperature
용해도: DMF, DMSO, 에탄올, 메탄올에 용해됨
물리적 상태: 액체
색상: 무색~황색으로 투명함
수용성: 불용성
BRN: 1634241 · 1634241
InChI: 1S/C6H6N2O/c1-2-9-5-6(3-7)4-8/h5H,2H2,1H3
InChIKey: OEICGMPRFOJHKO-UHFFFAOYSA-N
SMILES: CCO\C=C(\C#N)C#N
NIST: Propanedinitrile, (ethoxymethylene)-(123-06-8)
EPA: Propanedinitrile, (ethoxymethylene)- (123-06-8)

화학적 성질

Off White to Pale Yellow

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (23.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P316, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (23.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: OO3850000
ridadr: 3439
독성: mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),National Technical Information Service. Vol. AD277-689,
HS 번호: 29269090
risk_code: 22-42/43-23/24/25-43-20/21/22-R42/43-R23/24/25-R22
hazard_code: Xn,T,Xi
safety_code: 22-36/37-45-36/37/39-26-36-24/25-S45-S36/37/39-S26-S22
포장분류: III
위험 등급: 6.1
F 고인화성물질: 21
Hazard Classifications: Acute Tox. 4 OralResp. Sens. 1Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanedinitrile, 2-(ethoxymethylene)-: ACTIVE

응용 분야

용도Chemical intermediate.

제조 방법 · 1건

Triethyl orthoformate (67.3 mg, 0.454 mol) and malononitrile (20.0 mg,0.302 mol) were andded to acetic anhydride (77.2 gm, 0.75 moles) and the mixture was refluxed for 4-5 h at 110-140°C. The reaction was monitored by GC. After the reaction is complete, it is cooled to room temperature. Concentrated the mixture at 70°C at reduced pressure to yield crude solid product and the pure product (Ethoxymethylenemalononitrile) was obtained through purified either by vacuum distillation.