2,6-디메틸-4-니트로아니솔

2-Methoxy-1,3-dimethyl-5-nitrobenzene

HCID 139835CAS 14804-39-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1c(C)cc([N+](=O)[O-])cc1C
InChIKey: HSDNHFOJTRMGER-UHFFFAOYSA-N
분자식: C9H11NO3
평균 분자량: 181.19 g/mol
단동위원소 질량: 181.07389321

이름 및 식별자

우선 이름: 2-Methoxy-1,3-dimethyl-5-nitrobenzene
IUPAC: 2-methoxy-1,3-dimethyl-5-nitrobenzene
현지명: 2,6-디메틸-4-니트로아니솔
영어명: 2,6-Dimethyl-4-nitroanisole
분자식: C9H11NO3
분자량: 181.19

이름 및 동의어

2-methoxy-1,3-dimethyl-5-nitrobenzeneRefChem:4741182,6-Dimethyl-4-nitroanisole14804-39-8MFCD00024537Benzene, 2-methoxy-1,3-dimethyl-5-nitro-m-Xylene, 2-methoxy-5-nitro-m-Xylene, 2-methoxy-5-nitro-,2,6-Dimethyl-4-nitrophenyl methyl ether2-methoxy-1,3-dimethyl-5-nitro-benzeneBenzene,2-methoxy-1,3-dimethyl-5-nitro-SCHEMBL654449

이름 더 보기

2,6-디메틸-4-니트로아니솔

2,6-dimethyl-4-nitro-anisoleDTXSID70163873HSDNHFOJTRMGER-UHFFFAOYSA-N4-methoxy-3,5-dimethylnitrobenzeneALBB-0233462-Methoxy-13-dimethyl-5-nitrobenzeneAKOS0033683982,6-dimethyl-1-methoxy-4-nitrobenzene

데이터베이스 식별자

CAS: 14804-39-8
PubChem CID: 139835
DTXSID: DTXSID70163873
EC Number: 642-652-4
Nikkaji: J485.971E

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 178

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

물리화학적 성질

녹는점: 85 · 85-89°C
저장 조건: Store at room temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.