9-Anthracenecarboxaldehyde (HCID 69504)

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 물성

XLogP: 4
극성 표면적: 17.1 Å²
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 · 2건

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
NIST: 9 · 9-Anthracenecarboxaldehyde(642-31-9)
EPA: 9 · 9-Anthracenecarboxaldehyde (642-31-9)

화학적 성질

yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 3건

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

Regulatory Information · 3건

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

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29122900
risk_code: 36/37/38-20/21/22
hazard_code: Xn
safety_code: 24/25-36
기존화학 물질: 2011-3-5209
스토리지 클래스: 11 - Combustible Solids

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 · 2건

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.

상·하류 제품 정보

상류 원료

안트라센 황린

하류 제품

9-안트라센메탄올 9-비닐안트라센 9-(Chloromethyl)anthracene 9-(메틸아미노메틸)안트라센 9-안트라세네카르보닐클로라이드 알파-클로로-9-안트랄독심 안트라센-9-올 3-[(항트라센-9-일메틸)-아미노]-프로판-1-OL 2-(Anthracen-9-yl)-2H-pyran-4(3H)-one Benzenesulfonic acid, 4-methyl-, 2-(9-anthracenylmethylene)hydrazide 2,2,2-트리플루오로-1-(9-안트릴)에탄올

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

哈尔滨捷凯新材料有限公司15104587591; 18245017205 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

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안트라센 -9- 카르 브 알데히드

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