기본 정보
- 표준 SMILES
COc1ccc2c(c1)C(=O)CC2- InChIKey
UJGDLLGKMWVCPT-UHFFFAOYSA-N- 분자식
- C10H10O2
- 평균 분자량
- 162.18 g/mol
- 단동위원소 질량
- 162.06807956
이름 및 식별자
- 우선 이름
- 6-Methoxy-1-Indanone
- IUPAC
- 6-methoxy-2,3-dihydroinden-1-one
- 현지명
- 6-메톡시-1-인단온
- 영어명
- 6-Methoxy-1H-indanone
- 분자식
- C10H10O2
- 분자량
- 162.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
13623-25-1- PubChem CID
- 334036
- DTXSID
DTXSID60318971- EC Number
- 603-948-9
- Nikkaji
- J266.765G
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 188
물리화학적 성질
- 녹는점
- 105 · 105-109 °C (lit.)
- 끓는 점
- 228.88 °C · 228.88°C (rough estimate)
- 밀도
- 1.0281 · 1.0281 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 미세 결정성 분말
- 색상
- 흰색에서 노란색으로
- BRN
- 1238602 · 1238602
- InChI
- InChI=1S/C10H10O2/c1-12-8-4-2-7-3-5-10(11)9(7)6-8/h2,4,6H,3,5H2,1H3
- InChIKey
- UJGDLLGKMWVCPT-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC(OC)=C2)CC1
화학적 성질
white to light yellow crystal powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (25%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (25%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 4 reports by companies.;There are 3 notifications provided by 3 of 4 reports by companies with hazard statement code(s).;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
안전 데이터
- wgk
- 3
- HS 번호
- 29145090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-36/37-36-26
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Indanone derivative as a1-adrenoceptor antagonist.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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