5-Methoxy-2-nitrobenzoic acid

HCID 339209CAS 1882-69-5

기본 정보

표준 SMILES: COc1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIKey: URADKXVAIGMTEG-UHFFFAOYSA-N
분자식: C8H7NO5
평균 분자량: 197.14 g/mol
단동위원소 질량: 197.03242232

이름 및 식별자

우선 이름: 5-Methoxy-2-nitrobenzoic acid
IUPAC: 5-methoxy-2-nitrobenzoic acid
영어명: 5-Methoxy-2-nitrobenzoic acid
분자식: C8H7NO5
분자량: 197.14

이름 및 동의어

5-Methoxy-2-nitrobenzoic acid1882-69-5DTXSID90320805RefChem:536665DTXCID10271926606-135-7Benzoic acid, 5-methoxy-2-nitro-2-Nitro-5-methoxybenzoic acidMFCD001518366-Nitro-m-anisic Acid5-methoxy-2-nitro-benzoic acidNSC364656

이름 더 보기

6-Nitro-m-anisicacid5-methoxy-2-nitrobenzoate5-Methoxy-2-nitrobenzoicAcid>Benzoic acid, 5-methoxy-2-nitro-5-Methoxy-2-nitrobenzoic acid,97%5-Methoxy-2-nitrobenzoic acid 97%6-Nitro-m-anisic acid, 2-Carboxy-4-methoxyn

5-methoxy-nitrobenzoic acidSTR05879M2245F0001-0675Z901466745-Methoxy-2-nitrobenzoicAcidAM20060092FT-0620559

데이터베이스 식별자

CAS: 1882-69-5
PubChem CID: 339209
DTXSID: DTXSID90320805
EC Number: 606-135-7
Nikkaji: J1.790.249K、J999.465C

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 92.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 236

물리화학적 성질

녹는점: 125 · 125-130 °C (lit.)
끓는 점: 334.23 °C · 334.23°C (rough estimate)
밀도: 1.43 · 1.430
굴절률: 1.57 · 1.5700 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 2.06 · 2.06±0.25(Predicted)
물리적 상태: 과립
색상: 베이지색에서 회색 또는 갈색까지
BRN: 1877657 · 1877657
InChI: InChI=1S/C8H7NO5/c1-14-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey: URADKXVAIGMTEG-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(OC)=CC=C1[N+]([O-])=O

화학적 성질

beige to grey or brown granules

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (12.5%): 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 01-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18568

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

안전 데이터

wgk: 3
HS 번호: 29182900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-37
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Methoxy-2-nitrobenzoic acid is used in the synthesis of Cathepsin S inhibitors with antitumor applications. In addition, 2-aminocombretastatin derivatives with potential as antimitotic agents are synt hesized using this compound.

일반 설명5-Methoxy-2-nitrobenzoic acid is a substituted 2-nitrobenzoic acid. It has been reported to be one of the microbial degradation metabolite of cypermethrin, a synthetic pyrethroid pesticide.

상·하류 제품 정보

상류 원료

3-메틸-4-나이트로페놀 에틸알코올 염산 디클로로메탄 과망간산칼륨 수산화나트륨 피리딘 요오드 메탄

하류 제품

4-나이트로아니솔 2-Amino-5-methoxybenzoic acid 5-하이드록시-2-니트로벤조산 6-Methoxy-quinazolin-4-ylamine 5-Methoxy-2-nitrobenzaldehyde p-니트로페놀 2-니트로-N-(5-클로로-피리딘-2-일)-5-메톡시-벤즈아미드

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

연결된 노트

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