2-Amino-3-nitrobenzoic acid

NSC 1162 · 2-NH2-3-NO2-BA · BUTTPARK 76\07-05 · 2- amino-3-nitrobenzoic · 3-NITROANTHRANILIC ACID · 3-NitroanthranilicAcid>2-Amino-3-nitrobenzoicaci · 2-Ami-3-nitrobenzoic acid · 2-AMINO-3-NITROBENZOIC ACID

https://huagongshe.com/ko/chemical/219633

식별자 및 물리적 특성

CAS No.	606-18-8
분자식	C7H6N2O4
평균 분자량	182.13 g/mol
단동위원소 질량	182.03275668 g/mol
SMILES	Nc1c(C(=O)O)cccc1[N+](=O)[O-]
InChIKey	JJPIVRWTAGQTPQ-UHFFFAOYSA-N
PubChem CID	219633
EC No.	628-682-0
DTXSID	DTXSID60277211

화학 및 물리적 성질

XLogP	1.1
극성 표면적	109
수소 결합 공여자 수	2
수소 결합 수용자 수	5
회전 가능 결합 수	1
무거운 원자 수	13
형식 전하	0
복잡도	225
녹는점	207-211 °C
끓는 점	315.51°C (rough estimate)
밀도	1.5580
굴절률	1.5880 (estimate)
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	DMSO및메탄올에 용해됨
pKa(산도 계수)	4.20±0.20(Predicted)
물리적 상태	고체
색상	노란색
주요 응용	펩타이드 합성
InChI	InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)
InChIKey	JJPIVRWTAGQTPQ-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=CC=CC([N+]([O-])=O)=C1N

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류	WarningH302 (89.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (12.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 48 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.
Hazard Classes and Categories	Acute Tox. 4 (89.6%)Skin Irrit. 2 (12.5%)Eye Irrit. 2A (12.5%)STOT SE 3 (12.5%)
수질 위해 등급(WGK)	3
관세 코드	29224999
위험 문구(R)	22
위험 표시	Xn,Xi
안전 문구(S)	26-36/37/39
위험 등급	IRRITANTAcute Tox. 4 Oral
저장 분류	13 - Non Combustible Solids