2-메틸-4-니트로아니솔97

1-Methoxy-2-methyl-4-nitrobenzene

HCID 643520CAS 50741-92-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc([N+](=O)[O-])cc1C
InChIKey: QOZMIJZYJZQOBV-UHFFFAOYSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

이름 및 식별자

우선 이름: 1-Methoxy-2-methyl-4-nitrobenzene
IUPAC: 1-methoxy-2-methyl-4-nitrobenzene
현지명: 2-메틸-4-니트로아니솔97
영어명: 2-Methyl-4-nitroanisole 97
분자식: C8H9NO3
분자량: 167.16

이름 및 동의어

50741-92-91-methoxy-2-methyl-4-nitrobenzenebenzene, 1-methoxy-2-methyl-4-nitro-EINECS 256-748-5DTXSID70198786RefChem:76150DTXCID30121277InChI=1/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H2-Methyl-4-nitroanisole1-Methoxy-2-methyl-4-nitro-benzeneMFCD07787583DS-17656

이름 더 보기

2-메틸-4-니트로아니솔972-METHYL-4-NITROANISOLE 97%2-Methyl-4-nitroanisole 974-Methoxy-3-Methylnitrobenzene

EN300-200391doi:10.14272/QOZMIJZYJZQOBV-UHFFFAOYSA-N3-Methyl-4-methoxynitrobenzene2-Methoxy-5-nitrotolueneFT-06720002-methyl-4-nitro-anisoleInChI=1/C8H9NO3/cSCHEMBL187136

데이터베이스 식별자

CAS: 50741-92-9
PubChem CID: 643520
DTXSID: DTXSID70198786
EC Number: 256-748-5
Nikkaji: J154.676G

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

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

녹는점: 61 · 61-64 °C(lit.)
끓는 점: 283 · 283.0±20.0 °C(Predicted)
밀도: 1.18 · 1.180±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 회백색
InChI: 1S/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3
InChIKey: QOZMIJZYJZQOBV-UHFFFAOYSA-N
SMILES: COc1ccc(cc1C)[N+]([O-])=O

화학적 성질

Off-White Solid

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 3 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
HS 번호: 2909309090
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Methyl-4-nitroanisole may be used in the synthesis of 2-methyl-4-nitrophenol and 3-methyl-4-methoxyaniline.

일반 설명2-Methyl-4-nitroanisole is obtained as one of the products from the charge-transfer trinitromethylation of 2-methylanisole in the presence of dichloromethane.