4-Methoxy-2-nitrobenzoic acid

2-NITRO-4-METHOXYBENZOIC ACID · RARECHEM AL BO 1421 · 2-Nitro-p-anisic Acid · 4-METHOXY-2-NITROBENZOIC ACID · 4-Methoxy-2-nitronbenzoic acid · Benzoic acid, 4-methoxy-2-nitro- · 4-METHOXY-2-NITROBENZOIC ACID 98% · 4-Carboxy-3-nitroanisole, 2-Nitro-p-anisic acid

https://huagongshe.com/ko/chemical/288657

식별자 및 물리적 특성

CAS No.	33844-21-2
분자식	C8H7NO5
평균 분자량	197.14 g/mol
단동위원소 질량	197.03242232 g/mol
SMILES	COc1ccc(C(=O)O)c([N+](=O)[O-])c1
InChIKey	DVZBWONCSHFMMM-UHFFFAOYSA-N
PubChem CID	288657
EC No.	627-668-1
DTXSID	DTXSID00302278

화학 및 물리적 성질

XLogP	1.4
극성 표면적	92.4
수소 결합 공여자 수	1
수소 결합 수용자 수	5
회전 가능 결합 수	2
무거운 원자 수	14
형식 전하	0
복잡도	236
녹는점	196.5-200.5 °C (lit.)
끓는 점	372.9±27.0 °C(Predicted)
밀도	1.430±0.06 g/cm3(Predicted)
저장 조건	Sealed in dry,Room Temperature
용해도	메탄올에 용해됨
물리적 상태	powder to crystal
pKa(산도 계수)	2.46±0.25(Predicted)
색상	White to Light yellow to Light orange
InChI	1S/C8H7NO5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)
InChIKey	DVZBWONCSHFMMM-UHFFFAOYSA-N
SMILES	COc1ccc(C(O)=O)c(c1)[N+]([O-])=O

안전 및 규제

GHS 분류	WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (97.6%)
수질 위해 등급(WGK)	2
관세 코드	2918999090
위험 문구(R)	20/21/22
위험 표시	Xn
안전 문구(S)	36
위험 등급	Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
저장 분류	11 - Combustible Solids

용도

4-Methoxy-2-nitrobenzoic acid can serve as a key step in chemical reactions for synthesizing certain drug molecules, or play a role in the synthesis of certain types of dyes, fragrances, and other chemicals.