Indole-4-carboxaldehyde (HCID 333703)

개요

Indole-4-carbaldehyde is a heteroarenecarbaldehyde that is indole in which the hydrogen at position 4 has been replaced by a formyl group. It has a role as an algal metabolite. It is a member of indoles and a heteroarenecarbaldehyde.

이름 및 식별자

우선 이름: Indole-4-carboxaldehyde
IUPAC: 1H-indole-4-carbaldehyde
영어명: Indole-4-carboxaldehyde
분자식: C9H7NO
분자량: 145.16

이름 및 동의어

Indole-4-carboxaldehyde1074-86-81H-Indole-4-carbaldehydeindole-4-carbaldehydeCHEBI:143235DTXSID40318838RefChem:148200DTXCID30269961625-162-5JFDDFGLNZWNJTK-UHFFFAOYSA-N4-Formylindole1H-Indole-4-carboxaldehyde

이름 더 보기

4-FLUOROINDOLENSC 337264e-4-carboxaLRARECHEM AH BS 0110

4-Indole-carboxaldehydeMFCD016322214-Indolecarbaldehyde4-Formyl-1H-indole1H-indol-4-carbaldehyde4-formylindolINDOLE-4-ALDEHYDENSC337264

데이터베이스 식별자

CAS: 1074-86-8
PubChem CID: 333703
DTXSID: DTXSID40318838
ChEBI: CHEBI:143235
EC Number: 625-162-5
Nikkaji: J1.412.229J

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 32.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 139 · 139-143 °C(lit.)
끓는 점: 339.1 · 339.1±15.0 °C(Predicted)
밀도: 1.278 · 1.278±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 10 mg/ml; · DMF: 10 mg/ml; DMSO: 3 mg/ml; Ethanol: 10 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
산도 계수 (pKa): 15.84 · 15.84±0.30(Predicted)
물리적 상태: powder to crystal
색상: 밝은 노란색에서 갈색까지
수용성: 에탄올과 아세톤에 용해됩니다. 물에 불용성.
InChI: InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
InChIKey: JFDDFGLNZWNJTK-UHFFFAOYSA-N
SMILES: N1C2=C(C(C=O)=CC=C2)C=C1
NIST: 1 H-indole-4-carboxaldehyde · 1H-indole-4-carboxaldehyde(1074-86-8)

화학적 성질

White to dark brown solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (86%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 22-36-43
hazard_code: Xn,Xi
safety_code: 26-36/37
위험 등급: IRRITANT
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Indole-4-carboxaldehyde is usually used as reactant in Biginelli reaction,preparation of antitumor agents,intramolecular Friedel-Crafts acylation,preparation of inhibitors of cell division in E. Coli,synthesis of Hantzsch pyridine-containing Schiff bases.

일반 설명Indole-4-carboxaldehyde participates in the synthesis of arcyriacyanin A. Synthesis of 4-indole-4-carboxaldehyde has been reported. Intramolecular Friedel-Crafts (FC) acylation of indole-4-carboxaldehyde has been reported.

상·하류 제품 정보

상류 원료

1H-Indole-4-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-(E)-Methyl 2-(2-(diMethylaMino)vinyl)-3-nitrobenzoate INDOLE-4-메탄올 메틸2-메틸-3-니트로벤조에이트 디메틸니트로벤젠 4-시아노놀 [(1H-Indol-4-yl)methyl](methyl)amine Methyl indole-4-carboxylate TETRAPROPYLAMMONIUM PERRUTHENATE N-포밀사카린

하류 제품

4-(Azetidin-1-ylMethyl)-1H-indole 1-(페닐메틸)-1H-인돌-4-카르복스알데히드 (1-메틸-1H-인돌-4-일)메탄올

공급사50 곳

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]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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

연결된 노트

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Indole-4-carboxaldehyde

기본 정보

개요