1-Methoxy-4-methyl-2-nitrobenzene

HCID 67058CAS 119-10-8

기본 정보

표준 SMILES: COc1ccc(C)cc1[N+](=O)[O-]
InChIKey: LGNMURXRPLMVJI-UHFFFAOYSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

이름 및 식별자

우선 이름: 1-Methoxy-4-methyl-2-nitrobenzene
IUPAC: 1-methoxy-4-methyl-2-nitrobenzene
영어명: 4-Methyl-2-nitroanisole
분자식: C8H9NO3
분자량: 167.16

이름 및 동의어

4-Methyl-2-nitroanisole119-10-81-methoxy-4-methyl-2-nitrobenzene4-Methoxy-3-nitrotolueneAnisole, 4-methyl-2-nitro-Methyl 2-nitro-p-tolyl ether2-Methoxy-5-methylnitrobenzeneDTXSID3029152Benzene, 1-methoxy-4-methyl-2-nitro-EINECS 204-296-43B4205T5ZM2-METHOXY-5-METHYL-1-NITROBENZENE

이름 더 보기

Methoxynitrotoluene4-METHYL-2-NITROANISOLE 99%4-Methoxy-3-nitrotoluene>methyl 2-nitro-p-tolyl ether4-Methyl-2-nitroanisole 98+%2-Nitro-4-Methylbenzyl EtherP-NITRO-O-CRESYL METHYL ETHER

J154.679ADTXCID4091522-NITRO-4-METHYLANISOLE4-methyl-2-nitrophenol methyl etherMETHYL 4-METHYL-2-NITROPHENYL ETHERRefChem:433544204-296-4MFCD00024540

데이터베이스 식별자

CAS: 119-10-8
PubChem CID: 67058
DTXSID: DTXSID3029152
ChEMBL: CHEMBL3188546
UNII: 3B4205T5ZM
EC Number: 204-296-4
Nikkaji: J154.679A

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 166

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 8 · 8-9 °C (lit.)
끓는 점: 154 °C/14 · 154 °C/14 mmHg (lit.)
밀도: 1.205 g/mL · 1.205 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.557(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), DMSO(약간 용해됨)
물리적 상태: 기름
색상: 밝은 노란색에서 노란색까지
Henry's Law Constant: 7.2 · 7.2×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C8H9NO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3
InChIKey: LGNMURXRPLMVJI-UHFFFAOYSA-N
SMILES: COc1ccc(C)cc1[N+]([O-])=O
EPA: 4 · 4-methyl-2-nitroanisole (119-10-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29093090
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-methoxy-4-methyl-2-nitro-: ACTIVE

응용 분야

용도4-Methyl-2-nitroanisole may be used in the synthesis of 1-dibromomethyl-4-methoxy-2-nitrobenzene.

일반 설명Nucleophilic substitution reactions of 4-methyl-2-nitroanisole in neat cyclohexylamine and piperidine have been reported.

상·하류 제품 정보

상류 원료

Benzene, 1-(cyclohexyloxy)-4-methyl-4-Methyl-3-nitroanisole 2-나이트로-4-크레솔 사이클로헥산올 디메틸설페이트 요오드 메탄 4-메틸아니솔

하류 제품

Benzene, 1-methyl-4-(1-methylethoxy)-트리니트로메탄 (2-메톡시-5-[2-(2,4,6-트리메톡시-페닐)-에텐술포닐메틸]-페닐아미노)-아세트산,나트륨염

공급사50 곳

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