Benzene, 2-methoxy-1-methyl-4-nitro-

HCID 83159

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13120-77-9
표준 SMILES: COc1cc([N+](=O)[O-])ccc1C
InChIKey: WVQGZNRUEVFXKR-UHFFFAOYSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

이름 및 식별자

우선 이름: Benzene, 2-methoxy-1-methyl-4-nitro-
IUPAC: 2-methoxy-1-methyl-4-nitrobenzene
영어명: 2-Methyl-5-nitroanisole
분자식: C8H9NO3
분자량: 167.16

이름 및 동의어

13120-77-92-methoxy-1-methyl-4-nitrobenzeneBenzene, 2-methoxy-1-methyl-4-nitro-Anisole, 2-methyl-5-nitro-Methyl 5-nitro-o-tolyl etherEINECS 236-048-6NSC 25213DTXSID5065356RefChem:562582DTXCID8034033236-048-6InChI=1/C8H9NO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H

이름 더 보기

2-Methyl-5-nitroanis5-Nitro-o-metylanisole5-Nitro-2-MethylAnisole2-METHYL-5-NITROANISOLE 99%2-Methyl-5-nitroanisole,99%2-Methoxy-4-nitrotoluene>methyl 5-nitro-o-tolyl ether

2-Methyl-5-nitroanisole2-Methoxy-4-nitrotolueneMFCD000439121-Methoxy-2-methyl-5-nitrobenzene2-Methoxy-1-methyl-4-nitro-benzene1-methyl-2-methoxy-4-nitrobenzeneNSC252134-nitro-2-methoxytoluene

데이터베이스 식별자

CAS: 13120-77-9
PubChem CID: 83159
DTXSID: DTXSID5065356
EC Number: 236-048-6
Nikkaji: J30.015B

물성

구조 계산 물성

XLogP: 2.6
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

물리화학적 성질

녹는점: 69 · 69-71 °C (lit.)
끓는 점: 281.2 · 281.2±20.0 °C(Predicted)
밀도: 1.18 · 1.180±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
InChI: 1S/C8H9NO3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3
InChIKey: WVQGZNRUEVFXKR-UHFFFAOYSA-N
SMILES: COc1cc(ccc1C)[N+]([O-])=O
EPA: 2 · Benzene, 2-methoxy-1-methyl-4-nitro- (13120-77-9)

화학적 성질

cream to yellow crystalline powder and chunks

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 40 reports by companies from 2 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: 24/25-36-26
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

응용 분야

용도2-Methyl-5-nitroanisole was used in the synthesis of:2-methoxy-p-toluidine via reduction with tin and hydrochloric acid2-methoxy-4-nitrobenzyl bromide