Diethyl acetylenedicarboxylate (HCID 69803)

이름 및 식별자

우선 이름: Diethyl acetylenedicarboxylate
IUPAC: diethyl but-2-ynedioate
현지명: 아세틸렌카복실산디에틸에스테르
영어명: Diethyl acetylenedicarboxylate
분자식: C8H10O4
분자량: 170.16

이름 및 동의어

Diethyl acetylenedicarboxylate762-21-0Diethyl 2-butynedioateDTXSID20227055RefChem:587117DTXCID20149546212-095-8diethyl but-2-ynedioate2-Butynedioic acid, diethyl ester1,4-diethyl but-2-ynedioateDiethyl acetylene dicarboxylateMFCD00009186

이름 더 보기

다이에틸아세틸렌다이카복실레이트아세틸렌카복실산디에틸에스테르다이에틸 아세틸렌다이카복실레이트YL2-BUTYNEDIOATEDiethyl butyrateDiethyl acetylenedicdiethylbut-2-indioatBis(carboethoxy)acetyleneDiethyl but-2-yne-1,4-dioate

Acetylenedicarboxylic acid, diethyl esterdiethyl butynedioateBis-(Ethoxycarbonyl)acetyleneDi-Ethyl acetylenedicarboxylateNSC-67975Diethylacetylenedicarboxylatediethylacetylene dicarboxylateWLN: 2OV1UU1VO2

데이터베이스 식별자

CAS: 762-21-0
PubChem CID: 69803
DTXSID: DTXSID20227055
ChEMBL: CHEMBL4086918
UNII: BW8YXV5QMM
EC Number: 212-095-8
Nikkaji: J102.338A

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 208

실험 및 물리화학적 성질

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 1 · 1-3 °C
끓는 점: 107 · 107-110 °C11 mm Hg(lit.)
밀도: 1.063 g/mL · 1.063 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.443(lit.)
인화점: 202 °F · 202 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
Specific Gravity: 1.063 · 1.063
색상: 맑은 연한 노란색
수용성: 4 · 에탄올, 에틸 에테르, CCl4에 용해되고 물에 용해되지 않습니다.
BRN: 743166 · 743166
InChI: InChI=1S/C8H10O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-4H2,1-2H3
InChIKey: STRNXFOUBFLVIN-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C#CC(OCC)=O
NIST: Diethylacetylene dicarboxylate(762-21-0)

화학적 성질 · 1건

Diethyl acetylenedicarboxylate is a clear light yellow liquid which has a disagreeable smell. It is a cheap and readily available material in industry. The triple bond is a critical and useful functional group, and it has extensive applications in organic synthesis. It can react with amines, aldehydes, ketones, etc. Therefore it can be used to form various heterocycles.Synthesis of diethyl acetylenedicarboxylate

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationChemical: 2-Butynedioic acid, diethyl ester

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Corr. 1C (100%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

규제 정보

Regulatory InformationChemical: 2-Butynedioic acid, diethyl ester

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29171990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-25
포장분류: III
위험 등급: 8
F 고인화성물질: 8-10
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도Diethyl acetylenedicarboxylate is used as a protein cross-linker. It is also used in the synthesis of 3,4,5-trisubstituted 2(5H)-furanone derivatives, highly functionalized thiazolidinone derivatives, novel cyclic peroxide glucosides and 4,11-dimesitylbisanthene, soluble bisanthene derivative, via Diels-Alder reaction.

일반 설명Diethyl acetylenedicarboxylate is a protein cross-linker.