4-(디에틸아미노)살리실알데히드

4-(Diethylamino)-2-hydroxybenzaldehyde

HCID 87293CAS 17754-90-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCN(CC)c1ccc(C=O)c(O)c1
InChIKey: XFVZSRRZZNLWBW-UHFFFAOYSA-N
분자식: C11H15NO2
평균 분자량: 193.24 g/mol
단동위원소 질량: 193.11027872

개요

4-(Diethylamino)salicylaldehyde is a hydroxybenzaldehyde.

이름 및 식별자

우선 이름: 4-(Diethylamino)-2-hydroxybenzaldehyde
IUPAC: 4-(diethylamino)-2-hydroxybenzaldehyde
현지명: 4-(디에틸아미노)살리실알데히드
영어명: 4-(Diethylamino)salicylaldehyde
분자식: C11H15NO2
분자량: 193.24

이름 및 동의어

4-(Diethylamino)salicylaldehyde17754-90-44-(Diethylamino)-2-hydroxybenzaldehydep-(Diethylamino)salicylaldehydeDTXSID5022271OU5NFU4681DTXCID102271RefChem:515798241-745-3Benzaldehyde, 4-(diethylamino)-2-hydroxy-4-Diethylaminosalicylaldehyde4-(N,N-Diethylamino)salicylaldehyde

이름 더 보기

4-(디에틸아미노)살리실알데히드4-(diethylamino)salicyladehyde-6-4(3H6+3)amino)saL5]thieno[28-tetrahydro-24-d]pyriMidine-2

4-Diethylamino-2-hydroxybenzaldehydeMFCD00003326Salicylaldehyde, 4-(diethylamino)-4-diethylamino-2-hydroxy-benzaldehyde4-(diethylamino)-2-hydroxy-benzaldehyde4-(N,N-diethylamino)-2-hydroxybenzaldehyde2-Hydroxy-4-diethylaminobenzaldehydeEINECS 241-745-3

데이터베이스 식별자

CAS: 17754-90-4
PubChem CID: 87293
DTXSID: DTXSID5022271
ChEMBL: CHEMBL3561306
ChEBI: CHEBI:183489
UNII: OU5NFU4681
EC Number: 241-745-3
Nikkaji: J30.756D

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 180

실험 및 물리화학적 성질

Collision Cross Section143.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5022271]

물리화학적 성질

녹는점: 60 · 60-62 °C (lit.)
끓는 점: 329.46 °C · 329.46°C (rough estimate)
밀도: 1.0945 · 1.0945 (rough estimate)
굴절률: 1.5041 · 1.5041 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 8.29 · 8.29±0.10(Predicted)
물리적 상태: 분말 또는 결정성 분말
색상: 연한 갈색에서 분홍색, 보라색까지
수용성: 물에 불용성.
BRN: 2212234 · 2212234
InChIKey: XFVZSRRZZNLWBW-UHFFFAOYSA-N
EPA: 4 · Benzaldehyde, 4-(diethylamino)-2-hydroxy- (17754-90-4)

화학적 성질

4-(Diethylamino)salicylaldehyde is beige to purple crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (84.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (84.5%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: CU5615150
HS 번호: 29225090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 4-(diethylamino)-2-hydroxy-: ACTIVE

응용 분야

용도4-(Diethylamino)salicylaldehyde is usually used in the synthesis of Schiff-base ligand by monocondensation with diaminomaleonitrile.

상·하류 제품 정보

상류 원료

하류 제품

코우마린 7 3-(디에틸아미노)-7-옥소-7H-[1]벤조피라노[3,2:3,4]피리노[1,2-a]벤지이미다졸-6-카보니트릴 Solvent Red 197 7-(디에틸아미노)-2-옥소-2H-크로멘-3-카브알데히드 코우마린 7 Disperse Red 186 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]quinazolin-4(1H)-one 3-(5-클로로-2-벤족사졸일)-7-(디에틸아미노)-2H-1-벤조피란-2-온 3-(1H-benzoimidazol-2-yl)-N,N-diethyl-2-imino-chromen-7-amine 2-Hydroxy-benzoic acid 2-[[4-(diethylamino)-2-hydroxyphenyl]methylene]hydrazide

공급사50 곳

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