2-(4-디에틸아미노-2-하이드록시벤조일)벤조산

2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid

HCID 79878CAS 5809-23-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
InChIKey: FQNKTJPBXAZUGC-UHFFFAOYSA-N
분자식: C18H19NO4
평균 분자량: 313.3 g/mol
단동위원소 질량: 313.13140809

이름 및 식별자

우선 이름: 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
IUPAC: 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid
현지명: 2-(4-디에틸아미노-2-하이드록시벤조일)벤조산
영어명: 2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid
분자식: C18H19NO4
분자량: 313.35

이름 및 동의어

5809-23-42-(4-(Diethylamino)-2-hydroxybenzoyl)benzoic acid2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acidBenzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-DTXSID4027604EINECS 227-370-8UNII-X4K32L28QBX4K32L28QBBenzoic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)-NSC-625797DTXCID5076042-(2-HYDROXY-4-(DIETHYLAMINO)BENZOYL)BENZOIC ACID

이름 더 보기

2-(4-디에틸아미노-2-하이드록시벤조일)벤조산4-DIETHYLAMINO-2-HYDROXYBENZOPHENONE-2'-CARBOXYLIC ACID2-(4-DiethyLamino-2-hydroxybenzoyL4-Diethylaminoketone acidIsosulfan Blue Impurity 174-Diethyl ketone acid (EBA)Benzoic acid, o-(4-(diethylamino)salicyloyl)-2-[4-(diethyamino)-2-hydroxybenzoyl]benzoicacid2-Hydroxy-4-diethylamino-2'-carboxybenzophenone

2-CARBOXYL-4'-DIETHYLAMINO-2'-HYDROXY BENZOPHENONE2-HYDROXY-4-(DIETHYLAMINO)-2'-CARBOXYBENZOPHENONE4-(2-CARBOXYBENZOYL)-N,N-DIETHYL-3-HYDROXYANILINE4-(DIETHYLAMINO)-2-HYDROXY-2'-CARBOXYBENZOPHENONEO-(2-HYDROXY-4-(DIETHYLAMINO)BENZOYL)BENZOIC ACIDO-(4-(DIETHYLAMINO)-2-HYDROXYBENZOYL)BENZOIC ACID4-N,N-DIETHYLAMINO-2-HYDROXY-2'-CARBOXYBENZOPHENONE1-(2-CARBOXYBENZOYL)-4-(DIETHYLAMINO)-2-HYDROXYBENZENE

데이터베이스 식별자

CAS: 5809-23-4
PubChem CID: 79878
DTXSID: DTXSID4027604
ChEMBL: CHEMBL1241671
UNII: X4K32L28QB
EC Number: 227-370-8
Nikkaji: J22.385I

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 77.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 23
형식 전하: 0
복잡도: 421

실험 및 물리화학적 성질

Collision Cross Section187.1 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4027604]

물리화학적 성질

녹는점: 180 °C · 180°C(dec.)(lit.)
끓는 점: 537.1 · 537.1±45.0 °C(Predicted)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: soluble in Dimethylformamide
물리적 상태: powder to crystal
산도 계수 (pKa): 3.27 · 3.27±0.36(Predicted)
색상: White to Light yellow to Light red
InChI: InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)
InChIKey: FQNKTJPBXAZUGC-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(N(CC)CC)C=C1O
EPA: 2 · Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]- (5809-23-4)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.1% (104 of 106) of all reports.

Not Classified

Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: WGK 3
tsca: TSCA listed
rtecs: DG8545700
HS 번호: 29163990
risk_code: 36/37/38
safety_code: 26-36/37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-: ACTIVE

응용 분야 · 1건

용도2-(4-diethylamino-2-hydroxybenzoyl)benzoic acid could synthesize a novel fluorescent matrix, a hybrid (CzR) of carbazole, i.e. 2-hydroxycarbazole and rhodamine according to acid-promoted Friedel-Crafts acylation procedure with 2-hydroxycarbazole[1].

상·하류 제품 정보

상류 원료

o-(4-디에틸아미노-2-메톡시벤조일)벤조산 2-디에틸아미노페놀 N,N-디에틸-m-아니시딘 C.I. 솔벤트 레드 49 3-디에틸아미노페놀 3-아미노페놀 로다민 B 물 톨루엔 무수프탈산

하류 제품

2-(시아노메틸)벤즈이미다졸 디에칠아미노하이드록시벤조일헥실벤조에이트

공급사50 곳

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

山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

연결된 노트

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