CAS 57346-05-1 Bicyclo(2.2.2)octane-2,5-dione (HCID 13570060)

기본 정보

CAS: 57346-05-1
표준 SMILES: O=C1CC2CCC1CC2=O
InChIKey: WMJKUNDVKHUCMV-UHFFFAOYSA-N
분자식: C8H10O2
평균 분자량: 138.16 g/mol
단동위원소 질량: 138.06807956

이름 및 식별자

우선 이름: Bicyclo(2.2.2)octane-2,5-dione
IUPAC: bicyclo[2.2.2]octane-2,5-dione
현지명: 비시클로[2.2.2]옥탄-2,5-디온
영어명: Bicyclo[2.2.2]octane-2,5-dione
분자식: C8H10O2
분자량: 138.16

이름 및 동의어

BICYCLO[2.2.2]OCTANE-2,5-DIONE57346-05-1DTXSID30544063bicyclo(2.2.2)octane-2,5-dioneRefChem:568182DTXCID40494848637-348-3MFCD24504367SCHEMBL1710519WMJKUNDVKHUCMV-UHFFFAOYSA-WMJKUNDVKHUCMV-UHFFFAOYSA-NBicylco[2.2.2]octane-2,5-dione

이름 더 보기

비시클로[2.2.2]옥탄-2,5-디온

AKOS028109868BS-17143DA-35033SY237729DB-065205CS-0160254D83633EN300-1440229

데이터베이스 식별자

CAS: 57346-05-1
PubChem CID: 13570060
DTXSID: DTXSID30544063
EC Number: 637-348-3
Nikkaji: J1.580.582J

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 173

물리화학적 성질

녹는점: 203 · 203-205 °C
끓는 점: 268.3 · 268.3±33.0 °C(Predicted)
밀도: 1.191 · 1.191±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
InChI: 1S/C8H10O2/c9-7-4-6-2-1-5(7)3-8(6)10/h5-6H,1-4H2/t5-,6-/m1/s1
InChIKey: WMJKUNDVKHUCMV-PHDIDXHHSA-N
SMILES: O=C1C[C@H]2CC[C@@H]1CC2=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.