5-아미노벤조이미다졸론

5-아미노벤조이미다졸론 · 5-아미노-1,3-디하이드로-2H-벤즈이미다졸-2-온 · 5-AMINOBENZIMIDAZOLONE · 5(6)-AMINOBENZOIMIDAZOLONE · 5-AMINO-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE · 7-AMINO-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE · AKOS BBS-00006487 · 5-aminobenzimdazolone

https://huagongshe.com/ko/chemical/66765

식별자 및 물리적 특성

CAS No.	95-23-8
분자식	C7H7N3O
평균 분자량	149.15 g/mol
단동위원소 질량	149.05891186 g/mol
SMILES	Nc1ccc2[nH]c(=O)[nH]c2c1
InChIKey	BCXSVFBDMPSKPT-UHFFFAOYSA-N
PubChem CID	66765
EC No.	202-401-8
DTXSID	DTXSID5059119
현지명	5-아미노벤조이미다졸론

화학 및 물리적 성질

XLogP	0.4
극성 표면적	67.2
수소 결합 공여자 수	3
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	183
녹는점	>300 °C
끓는 점	201.4±19.0 °C(Predicted)
밀도	1.363±0.06 g/cm3(Predicted)
증기압	0.001Pa at 20℃
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태	가루
pKa(산도 계수)	11.80±0.30(Predicted)
색상	White to Amber to Dark purple
InChI	InChI=1S/C7H7N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
InChIKey	BCXSVFBDMPSKPT-UHFFFAOYSA-N
SMILES	C1(=O)NC2=CC=C(N)C=C2N1
LogP(분배 계수)	-0.33 at 23℃ and pH6.5-7.5
EPA	2H-Benzimidazol-2-one, 5-amino-1,3-dihydro- (95-23-8)

화학적 성질

Crystalline powder

안전 및 규제

GHS 분류	WarningH302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H412 (87.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 16 reports by companies from 6 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.
규제 정보	Status: Active Update: 06-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/1949
Hazard Classes and Categories	Acute Tox. 4 (18.8%)Eye Irrit. 2 (25%)Aquatic Chronic 3 (87.5%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	2933998090
위험 문구(R)	36/37/38-36-22
위험 표시	Xi,Xn
안전 문구(S)	26-36/37/39
위험 등급	IRRITANTAcute Tox. 4 OralEye Irrit. 2
기존화학 물질	KE-01207
저장 분류	11 - Combustible Solids