4-Methoxy-2-nitrobenzoic acid

HCID 288657CAS 33844-21-2

기본 정보

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

이름 및 식별자

우선 이름: 4-Methoxy-2-nitrobenzoic acid
IUPAC: 4-methoxy-2-nitrobenzoic acid
영어명: 4-Methoxy-2-nitrobenzoic acid
분자식: C8H7NO5
분자량: 197.14

이름 및 동의어

4-Methoxy-2-nitrobenzoic acid33844-21-2DTXSID00302278RefChem:99580DTXCID40253412627-668-12-Nitro-4-methoxybenzoic acidBenzoic acid, 4-methoxy-2-nitro-4-Methoxy-2-nitro-benzoic acid2-Nitro-p-anisic acidMFCD049721092-Nitro-4-methoxybenzoicacid

이름 더 보기

RARECHEM AL BO 14214-Methoxy-2-nitronbenzoic acid4-METHOXY-2-NITROBENZOIC ACID 98%4-Carboxy-3-nitroanisole, 2-Nitro-p-anisic acid4-Methoxy-2-nitrobenzoic acid ISO 9001：2015 REACH

2-Nitroanisic acidnitro anisic acidSCHEMBL147187DVZBWONCSHFMMM-UHFFFAOYSA-NNSC149936SBB0630524-Methoxy-2-nitrobenzoic acid, 97%AKOS000109352

데이터베이스 식별자

CAS: 33844-21-2
PubChem CID: 288657
DTXSID: DTXSID00302278
EC Number: 627-668-1
Nikkaji: J2.488.356F

물성

구조 계산 물성

XLogP: 1.4
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: 196.5 · 196.5-200.5 °C (lit.)
끓는 점: 372.9 · 372.9±27.0 °C(Predicted)
밀도: 1.43 · 1.430±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 2.46 · 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

GHS Classification · 4건

Warning

H302 (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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: 2
HS 번호: 2918999090
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-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.

상·하류 제품 정보

상류 원료

Benzoic acid, 5-amino-4-methoxy-2-nitro-1-(chloromethyl)-4-methoxy-2-nitrobenzene 3-(Acetylamino)-4-methoxybenzoic acid 4-Methoxy-2-nitrobenzonitrile 4-Methyl-3-nitroanisole 4-Methoxy-2-nitro-benzaldehyde 3-Nitroanisole 1-Bromo-4-fluoro-2-nitrobenzene 아세트산 나트륨 디플로로니트로벤젠(2,5-)4-플루오로-2-니트로아닐린 4-메톡시-2-나이트로아닐린

하류 제품

4-Bromo-3-nitroanisole 2-아미노-4-메톡시-벤조산

공급사50 곳

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]

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

上海策嵘生物科技有限公司[email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

연결된 노트

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