안트라센 -9- 카르 브 알데히드
9-Anthracenecarboxaldehyde
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기본 정보
- CAS
642-31-9- 표준 SMILES
O=Cc1c2ccccc2cc2ccccc12- InChIKey
YMNKUHIVVMFOFO-UHFFFAOYSA-N- 분자식
- C15H10O
- 평균 분자량
- 206.24 g/mol
- 단동위원소 질량
- 206.07316494
이름 및 식별자
- 우선 이름
- 9-Anthracenecarboxaldehyde
- IUPAC
- anthracene-9-carbaldehyde
- 현지명
- 안트라센 -9- 카르 브 알데히드
- 영어명
- 9-Anthraldehyde
- 분자식
- C15H10O
- 분자량
- 206.24
이름 및 동의어
9-Anthraldehyde642-31-99-Anthracenecarboxaldehyde9-Formylanthracene9-Anthrylaldehyde9-anthracene aldehydeNSC-15DTXSID9060940353S277YHYRefChem:549188DTXCID3044253211-383-0
이름 더 보기
안트라센-9-카르브알데히드9-안스알데히드anthraldehydeAKOS B0298499-AnthaldehydeAKOS BBS-00003154
Anthracene-9-carbaldehyde9-Anthracenecarbaldehyde9-AnthrylcarboxaldehydeAnthracene-9-carboxaldehyde9-anthracenaldehydeMFCD00001254Anthracene-9-aldehyde9-Anthracenealdehyde
데이터베이스 식별자
- CAS
642-31-9- PubChem CID
- 69504
- DTXSID
DTXSID9060940- ChEMBL
CHEMBL4447118- UNII
- 353S277YHY
- EC Number
- 211-383-0
- Nikkaji
- J45.218A
물성
구조 계산 물성보충 중
- XLogP
- 4
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 238
실험 및 물리화학적 성질
Physical DescriptionGold colored powder; [Alfa Aesar MSDS]
Kovats Retention Index
2094；368.3
357.3；356.6
물리화학적 성질
- 녹는점
- 103 · 103-105 °C (lit.)
- 끓는 점
- 305.09 °C · 305.09°C (rough estimate)
- 밀도
- 1.0701 · 1.0701 (rough estimate)
- 굴절률
- 1.6324 · 1.6324 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 톨루엔에 용해됩니다.
- 물리적 상태
- 결정질 분말 또는 바늘
- 색상
- 노란색
- BRN
- 639167 · 639167
- 안정성
- 안정적인. 강염기, 강산화제와 호환되지 않습니다.
- InChI
- 1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
- InChIKey
- YMNKUHIVVMFOFO-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1c2ccccc2cc3ccccc13
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (28.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (28.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (57.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 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.
유해성 정보
Regulatory Information
Chemical: 9-Anthracenecarboxaldehyde
Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18857
9-Anthracenecarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (28.6%)；Acute Tox. 4 (28.6%)；Skin Irrit. 2 (71.4%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (28.6%)
규제 정보
화학 및 산업
약리 정보
Metabolism/Metabolites9-anthraldehyde has known human metabolites that include 9-Anthracenecarboxylic acid.
용도 및 제조
UsesSubstrate for microsomal aldehyde oxygenase activity. [ChemIDplus]
General Manufacturing Information9-Anthracenecarboxaldehyde: INACTIVE
응용 분야
용도9-Anthraldehyde is used to prepare asymmetrical tridentate Schiff base ligands, 2-(9-anthrylmethyl-ideneamino)-4-methyl-phenol and functionalized ligand like 2-(anthracen-9-ylidene)-4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione through Knoevenangel condensation with the diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione. It is also used as an intermediate for dyes, pigment, active pharmaceutical ingredients and other organic compounds. Further, it is involved in the Diels Alder reaction with benzenediazonium-2-carboxylate.
일반 설명The Diels-Alder reaction of 9-anthracenecarboxaldehyde with benzenediazonium-2-carboxylate was studied.
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