4'-아미노벤자닐리드

4'-아미노벤자닐리드 · 4-AMINOBENZANILIDE · AKOS BB-8148 · ASISCHEM X23020 · Aminobenzanilide · P-AMINOBENZANILIDE · TIMTEC-BB SBB009760 · 4'-AMINOBENZANILIDE

https://huagongshe.com/ko/chemical/87196

식별자 및 물리적 특성

CAS No.	17625-83-1
분자식	C13H12N2O
평균 분자량	212.25 g/mol
단동위원소 질량	212.09496301 g/mol
SMILES	Nc1ccc(NC(=O)c2ccccc2)cc1
InChIKey	GTTFJYUWPUKXJH-UHFFFAOYSA-N
PubChem CID	87196
ChEMBL	CHEMBL260457
EC No.	241-603-0
DTXSID	DTXSID2066228
현지명	4'-아미노벤자닐리드

화학 및 물리적 성질

XLogP	1.9
극성 표면적	55.1
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	16
형식 전하	0
복잡도	228
녹는점	127-131 °C(lit.)
끓는 점	308.6±25.0 °C(Predicted)
밀도	1.244±0.06 g/cm3(Predicted)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	DMSO와 메탄올에 용해됩니다.
pKa(산도 계수)	13.14±0.70(Predicted)
물리적 상태	고체
색상	갈색
InChI	1S/C13H12N2O/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)
InChIKey	GTTFJYUWPUKXJH-UHFFFAOYSA-N
SMILES	Nc1ccc(NC(=O)c2ccccc2)cc1
NIST	Benzamide, n-(4-aminophenyl)-(17625-83-1)
EPA	Benzamide, N-(4-aminophenyl)- (17625-83-1)

화학적 성질

Brown Solid

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	2924297099
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

4'-Aminobenzanilide is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field. It has anticonvulsant property.