P-다이메틸아미노벤즈알데하이드

P-(다이메틸아미노)벤즈알데하이드 · P-다이메틸아미노벤즈알데하이드 · p-디메틸아미노벤즈알데히드 · P-포르밀디메틸아닐린 · 엘릭스시약 · 4-(디메틸아미노)벤젠카본 · 4-(DIMETHYLAMINO)BENZALDEHYDE · P-DIMETHYLAMINOBENZALDEHYDE

https://huagongshe.com/ko/chemical/7479

식별자 및 물리적 특성

CAS No.	100-10-7
분자식	C9H11NO
평균 분자량	149.19 g/mol
단동위원소 질량	149.08406397 g/mol
SMILES	CN(C)c1ccc(C=O)cc1
InChIKey	BGNGWHSBYQYVRX-UHFFFAOYSA-N
PubChem CID	7479
ChEMBL	CHEMBL3188333
ChEBI	CHEBI:91114
EC No.	202-819-0
DTXSID	DTXSID5021835
현지명	P-다이메틸아미노벤즈알데하이드

화학 및 물리적 성질

XLogP	1.8
극성 표면적	20.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	126
물질 분류	Nitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
녹는점	74 °C72-75 °C(lit.)
Physical Description	Dry PowderSolidUnless extremely pure is lemon-colored possibly turning pink on light exposure[Merck Index] White crystalline solidMay be discolored by light and air[Sigma-Aldrich MSDS]
Collision Cross Section	129.0 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5021835]
끓는 점	176-177 °C (17 mmHg)
밀도	1.10 g/mL at 20 °C
증기압	<0.1 hPa (20 °C)
굴절률	n20/D 1.417
인화점	164 °C
저장 조건	2-8°C
용해도	알코올: 테스트 통과(APHA ≤60)
pKa(산도 계수)	pK1:1.647(+1) (25°C)
물리적 상태	액체
색상	흰색에서 연한 노란색
냄새	특유의 냄새
용해도	0.3g/L(20℃)
Merck	14,3230
BRN	606802
안정성	안정적이지만 빛에 민감합니다. 염기, 강한 산화제와 호환되지 않습니다.
InChI	1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
InChIKey	BGNGWHSBYQYVRX-UHFFFAOYSA-N
SMILES	CN(C)c1ccc(C=O)cc1
LogP(분배 계수)	1.810
NIST	Benzaldehyde, 4-(dimethylamino)-(100-10-7)
EPA	Benzaldehyde, 4-(dimethylamino)- (100-10-7)

화학적 성질

4-Dimethylaminobenzaldehyde is white to off white crystalline powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 7.4% (11 of 148) of reports.WarningH317 (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.
규제 정보	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/21755p-Dimethylaminobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Causes 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 Categories	Skin Sens. 1 (72.3%)
Protective Action Criteria (PAC)	3.7 [mg/m3]41 [mg/m3]250 [mg/m3]
유해 작용	Neurotoxin - Other CNS neurotoxin
수질 위해 등급(WGK)	1
TSCA 등재 상태	TSCA listed
RTECS 번호	CU5775000
운송 번호(UN)	UN 2920 8/PG 2
독성	LD50 orally in Rabbit: > 6400 mg/kg
관세 코드	29223900

용도

4-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 설명

Kovac′s reagent for indoles is a solution of 4-(dimethylamino)benzaldehyde and hydrochloric acid in n-butanol.