4,4′-디아미노벤즈아닐리드

4,4""""-디아미노벤즈아닐리드 · 4,4′-디아미노벤즈아닐리드 · 4,4'-디아미노벤즈아닐리드(4,4'-DIAMINOBENZANILIDE) · 4,4'-디아미노벤자닐리드 · DABA · 4-AMINO-N-(4-AMINOPHENYL)BENZAMIDE · 4,4'-Daba · Diaminoben

https://huagongshe.com/ko/chemical/69917

식별자 및 물리적 특성

CAS No.	785-30-8
분자식	C13H13N3O
평균 분자량	227.26 g/mol
단동위원소 질량	227.10586204 g/mol
SMILES	Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
InChIKey	XPAQFJJCWGSXGJ-UHFFFAOYSA-N
PubChem CID	69917
ChEMBL	CHEMBL350416
EC No.	212-321-5
DTXSID	DTXSID4020400
현지명	4,4′-디아미노벤즈아닐리드

화학 및 물리적 성질

XLogP	1.3
극성 표면적	81.1
수소 결합 공여자 수	3
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	17
형식 전하	0
복잡도	253
녹는점	205-207 °C(lit.)
끓는 점	384.0±27.0 °C(Predicted)
밀도	1.314±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	물에 거의 녹지 않음
물리적 상태	powder to crystal
pKa(산도 계수)	13.99±0.70(Predicted)
색상	흰색에서 갈색으로
BRN	2215469
InChI	InChI=1S/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17)
InChIKey	XPAQFJJCWGSXGJ-UHFFFAOYSA-N
SMILES	C(NC1=CC=C(N)C=C1)(=O)C1=CC=C(N)C=C1
EPA	Benzamide, 4-amino-N-(4-aminophenyl)- (785-30-8)

화학적 성질

off-white to grey-beige powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 14.8% (8 of 54) of reports.WarningH302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23568Benzamide, 4-amino-N-(4-aminophenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (11.1%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29214200
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
기존화학 물질	KE-01173
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

4,4'-Diaminobenzanilide (DABA) is an organic compound that is used as an intermediate in the synthesis of various dyes, pigments, and other organic compounds used in the textile and printing industries. It is also used as a intermediate in the synthesis of certain types of pharmaceuticals and agrochemicals.