3,4-디이소프로폭시-3-시클로부텐-1,2-디온

3,4-Diisopropoxy-3-cyclobutene-1,2-dione

HCID 182314

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 61699-62-5
표준 SMILES: CC(C)Oc1c(OC(C)C)c(=O)c1=O
InChIKey: KCZPGGVPQXQGEJ-UHFFFAOYSA-N
분자식: C10H14O4
평균 분자량: 198.22 g/mol
단동위원소 질량: 198.08920893

이름 및 식별자

우선 이름: 3,4-Diisopropoxy-3-cyclobutene-1,2-dione
IUPAC: 3,4-di(propan-2-yloxy)cyclobut-3-ene-1,2-dione
현지명: 3,4-디이소프로폭시-3-시클로부텐-1,2-디온
영어명: 3,4-Diisopropoxy-3-cyclobutene-1,2-dione
분자식: C10H14O4
분자량: 198.22

이름 및 동의어

3,4-Diisopropoxy-3-cyclobutene-1,2-dione3-Cyclobutene-1,2-dione, 3,4-diisopropoxy-DTXSID50210692RefChem:271105DTXCID80133183626-517-7KCZPGGVPQXQGEJ-UHFFFAOYSA-N61699-62-5Diisopropyl squarate3,4-Diisopropoxycyclobut-3-ene-1,2-dioneMFCD000751253,4-di(propan-2-yloxy)cyclobut-3-ene-1,2-dione

이름 더 보기

3,4-디이소프로폭시-3-시클로부텐-1,2-디온3,4-Diisopropoxy-3-c1,2-DiisopropoxycycloSquaric acid diisopropyl3,4-Diisopropoxy-3-Cyclobutene1,2-Diisopropoxycyclobutene-3,4-dione1,2-Bis(isopropoxy)-1-cyclobutene-3,4-dione3,4-Diisopropoxy-3-cyclobutene-1,2-dione>

3,4-Bis(1-methylethoxy)-3-cyclobutene-1,2-dione3-Cyclobutene-1,2-dione, 3,4-bis(1-methylethoxy)-CS-W0083873,4-Diisopropoxy-3-cyclobutene-1,2-dione, 99%3,4-DiisFT-0640774bis(propan-2-yloxy)cyclobut-3-ene-1,2-dioneSCHEMBL734610

데이터베이스 식별자

CAS: 61699-62-5
PubChem CID: 182314
DTXSID: DTXSID50210692
EC Number: 626-517-7
Nikkaji: J382.984G

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: 14
형식 전하: 0
복잡도: 269

물리화학적 성질

녹는점: 43 · 43-45 °C (lit.)
끓는 점: 110 °C/0.04 · 110 °C/0.04 mmHg (lit.)
밀도: 1.1825 · 1.1825 (rough estimate)
굴절률: 1.5439 · 1.5439 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C, protect from light, stored under nitrogen
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: 1S/C10H14O4/c1-5(2)13-9-7(11)8(12)10(9)14-6(3)4/h5-6H,1-4H3
InChIKey: KCZPGGVPQXQGEJ-UHFFFAOYSA-N
SMILES: CC(C)OC1=C(OC(C)C)C(=O)C1=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29145090
risk_code: 36/37/38-42/43
hazard_code: Xn
safety_code: 7-26-28-36/37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3,4-Diisopropoxy-3-cyclobutene-1,2-dione was used in the preparation of 1,1′-bis{3-(4-isopropoxy-3-cyclobutene-1,2-dioxo)}ferrocene and 3-isopropoxy-4-ferrocenyl-3-cyclobutene-1,2-dione.