P-다이메틸아미노벤즈알데하이드
4-(Dimethylamino)Benzaldehyde
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
100-10-7- 표준 SMILES
CN(C)c1ccc(C=O)cc1- InChIKey
BGNGWHSBYQYVRX-UHFFFAOYSA-N- 분자식
- C9H11NO
- 평균 분자량
- 149.19 g/mol
- 단동위원소 질량
- 149.08406397
개요
4-(dimethylamino)benzaldehyde is a member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine. It has a role as a chromogenic compound. It is a member of benzaldehydes, a substituted aniline and a tertiary amino compound.
이름 및 식별자
- 우선 이름
- 4-(Dimethylamino)Benzaldehyde
- IUPAC
- 4-(dimethylamino)benzaldehyde
- 현지명
- P-다이메틸아미노벤즈알데하이드
- 영어명
- 4-Dimethylaminobenzaldehyde
- 분자식
- C9H11NO
- 분자량
- 149.19
이름 및 동의어
4-(DIMETHYLAMINO)BENZALDEHYDE100-10-74-Dimethylaminobenzaldehydep-DimethylaminobenzaldehydeEhrlich's reagentBenzaldehyde, 4-(dimethylamino)-p-Formyldimethylanilinep-(Dimethylamino)benzaldehydep-Formyl-N,N-dimethylaniline4-DimethylaminobenzenecarbonalN,N-Dimethyl-p-aminobenzaldehydeReagens ehrlichovo
이름 더 보기
P-(다이메틸아미노)벤즈알데하이드P-다이메틸아미노벤즈알데하이드p-디메틸아미노벤즈알데히드P-포르밀디메틸아닐린엘릭스시약4-(디메틸아미노)벤젠카본DIMETHYLAMINOBENZALDEHYDEp-DABpara-Dimethylaminobenzaldehyde4-Dimethylaminobenzaldehyde 、p-DimethylaminobenzaldehydeEhrlichsNSC 5517D2004-100G
p-(N,N-Dimethylamino)benzaldehydeDTXSID5021835V7E88PR1YBNSC-5517DTXCID601835CHEBI:91114RefChem:97438202-819-0
데이터베이스 식별자
- CAS
100-10-7- PubChem CID
- 7479
- DTXSID
DTXSID5021835- ChEMBL
CHEMBL3188333- ChEBI
CHEBI:91114- UNII
- V7E88PR1YB
- EC Number
- 202-819-0
- Nikkaji
- J4.002I
물성
구조 계산 물성보충 중
- XLogP
- 1.8
- 극성 표면적
- 20.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 126
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Melting Point74 °C
Physical Description
Dry Powder
Solid; Unless extremely pure is lemon-colored possibly turning pink on light exposure; [Merck Index] White crystalline solid; May be discolored by light and air; [Sigma-Aldrich MSDS]
Collision Cross Section129.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5021835]
물리화학적 성질
- 녹는점
- 74 °C · 74 °C (165 °F; 347 K)
- 끓는 점
- 176 to · 176 to 177 °C (349 to 351 °F; 449 to 450 K)
- 밀도
- 1.1 g/mL · 1.1 g/mL
- 증기압
- 0.1 hPa · <0.1 hPa (20 °C)
- 굴절률
- 20 · n 20/D 1.400-1.420
- 인화점
- 164 °C · 164 °C (327 °F; 437 K)
- 저장 조건
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 7.4% (11 of 148) of reports.
Warning
H317 (72.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 148 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzaldehyde, 4-(dimethylamino)-
Benzaldehyde, 4-(dimethylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzaldehyde, 4-(dimethylamino)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21755
p-Dimethylaminobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses general anesthesia, somnolence, and ataxia in oral and intraperitoneal lethal-dose studies of mice; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See Benzaldehyde and N,N-Dimethyl-p-toluidine.
Hazard Classes and CategoriesSkin Sens. 1 (72.3%)
안전 및 보호
Protective Action Criteria (PAC)
3.7 [mg/m3]
41 [mg/m3]
250 [mg/m3]
독성 정보
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
용도 및 제조
UsesUsed as a reagent and to make dyes; [Merck Index]
U.S. Production2023: 2,866 lb
Industry UsesDye
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Benzaldehyde, 4-(dimethylamino)-: ACTIVE
응용 분야
용도4-Dimethylaminobenzaldehyde is used to prepare colorful Schiff base adducts with amines, pyrroles and indoles. It is often used in the Ehrlich reaction, test for the presence of indoles in a sample containing alkaloids and determination of hydrazine.
일반 설명Kovac′s reagent for indoles is a solution of 4-(dimethylamino)benzaldehyde and hydrochloric acid in n-butanol.
상·하류 제품 정보
상류 원료
관련 반응
289건
화합물 노트
불러오는 중…