P-다이메틸아미노벤즈알데하이드

4-(Dimethylamino)Benzaldehyde

HCID 7479CAS 100-10-7
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기본 정보

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 물성

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

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Melting Point74 °C
Physical Description · 2건

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
72 · 72-75 °C(lit.)
끓는 점
176 · 176-177 °C (17 mmHg)
밀도
1.1 g/mL · 1.10 g/mL at 20 °C
증기압
0.1 hPa · <0.1 hPa (20 °C)
굴절률
20 · n20/D 1.417
인화점
164 °C · 164 °C

화학적 성질

4-Dimethylaminobenzaldehyde is white to off white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 4건

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) · 3건

3.7 [mg/m3]

41 [mg/m3]

250 [mg/m3]

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
CU5775000
ridadr
UN 2920 8/PG 2
독성
LD50 orally in Rabbit: > 6400 mg/kg
HS 번호
29223900

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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 &amp; Hackh&apos;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 · 2건

Synthetic Dye and Pigment Manufacturing

Benzaldehyde, 4-(dimethylamino)-: ACTIVE

응용 분야 · 2건

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

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]

추가 설명

정의4-Dimethylaminobenzaldehyde is a mamber of the class of benzaldehydes carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine.

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