3a,4,4a,5,8,8a,9,9a-옥타히드로-4,9:5,8-디메타노-1H-벤즈[f]인덴

Tricyclopentadiene

HCID 111263

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7158-25-0
표준 SMILES: C1=CC2C(C1)C1CC2C2C3C=CC(C3)C12
InChIKey: XCGKRTHKVBCXLN-UHFFFAOYSA-N
분자식: C15H18
평균 분자량: 198.3 g/mol
단동위원소 질량: 198.14085058

이름 및 식별자

우선 이름: Tricyclopentadiene
IUPAC: pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
현지명: 3a,4,4a,5,8,8a,9,9a-옥타히드로-4,9:5,8-디메타노-1H-벤즈[f]인덴
영어명: 3a,4,4a,5,8,8a,9,9a-octahydro-4,9:5,8-dimethano-1H-benz[f]indene
분자식: C15H18
분자량: 198.3

이름 및 동의어

7158-25-03a,4,4a,5,8,8a,9,9a-octahydro-4,9:5,8-dimethano-1H-benz[f]indene4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro-EINECS 230-512-13a,4,4a,5,8,8a,9,9a-Octahydro-4,9:5,8-dimethano-1H-benz(f)indeneDTXSID508640184,9:5,8-Dimethano-1H-benz(f)indene, 3a,4,4a,5,8,8a,9,9a-octahydro-4,9:5,8-Dimethano-1H-benzfindene, 3a,4,4a,5,8,8a,9,9a-octahydro-RefChem:899379DTXCID50812574230-512-1Tricyclopentadiene

이름 더 보기

3a,4,4a,5,8,8a,9,9a-옥타히드로-4,9:5,8-디메타노-1H-벤즈[f]인덴3a,4,4a,5,8,8a,9,9a-옥타하이드로-4,9:5,8-다이메타노-1H-벤지[f] 인덴3a,4,4a,5,8,8a,9,9a-옥타히드로-4,9:5,8-디메타노-1H-벤즈[f]인덴과 4,4a,4b,5,8,8a,9,9a-옥타히드로-1,4:5,8-디메타노-1H-플루오렌의 혼합물3a,4,4a,5,8,8a,9,9a-옥타히드로-4,9:5,8-디메타노-1H-벤즈[f]인덴과, 4a,4b,5,8,8a,9,9a-옥타히드로-1,4:5,8-디메타노-1H-플루오렌의혼합물[Mixture of 3a,4,4a,5,8,8a,9,9a-Octahydro-4,9:5,8-dimethano-1H-benz[f]indene(7158-25-0) and 4,4a,4b,5,8,8a,9,9a-Octahydro-1,4:5,8-dimethano-1H-fluorene(35184-08-8)]

pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene3a,4,4a,5,8,8a,9,9a-octahydro-1H-4,9:5,8-dimethanocyclopenta[b]naphthalene3a,4,4a,5,8,8a,9,9a-octahydro-4,9TCPDVitamin K1 Impurity 198SCHEMBL3360043SY251985NS00013248

데이터베이스 식별자

CAS: 7158-25-0
PubChem CID: 111263
DTXSID: DTXSID50864018
EC Number: 230-512-1
Nikkaji: J39.591I

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 377

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

끓는 점: 287.5 · 287.5±40.0 °C(Predicted)
밀도: 1.121 · 1.121±0.06 g/cm3(Predicted)
증기압: 1.56 Pa · 1.56Pa at 25℃
용해도: Chlorofom (Soluble), Ethyl Acetate (Slightly)
물리적 상태: 고체
색상: 흰색에서 황백색까지
수용성: 5.38 mg/L · 5.38mg/L at 20℃
화장품 원료 기능: 향수
LogP: 3.04 at · 3.04 at 23℃
EPA: 4 · 4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro- (7158-25-0)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro-

4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 19-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30600

4,9:5,8-Dimethano-1H-benzfindene, 3a,4,4a,5,8,8a,9,9a-octahydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

tsca: TSCA listed
기존화학 물질: 2004-1-546
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 3a,4,4a,5,8,8a,9,9a-옥타히드로-4,9:5,8-디메타노-1H-벤즈[f]인덴과 4,4a,4b,5,8,8a,9,9a-옥타히드로-1,4:5,8-디메타노-1H-플루오렌의 혼합물 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링: 2004-1-546

화학 및 산업

용도 및 제조

U.S. Production2023: 923,004 lb

Consumer UsesMonomers

Industry UsesMonomers

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

4,9:5,8-Dimethano-1H-benz[f]indene, 3a,4,4a,5,8,8a,9,9a-octahydro-: ACTIVE

응용 분야

용도Tricyclopentadiene (TCPD), is the product of dicyclopentadiene (D439350) via cycloaddition, has been shown to be a promising candidate as a high-energy fuel.