4-메틸-2-(2'-니트로페닐)아조페놀

4-Methyl-2-[2-(2-nitrophenyl)diazenyl]phenol

HCID 74029CAS 1435-71-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1
InChIKey: DRPPFIRCBMBJCM-UHFFFAOYSA-N
분자식: C13H11N3O3
평균 분자량: 257.24 g/mol
단동위원소 질량: 257.08004121

이름 및 식별자

우선 이름: 4-Methyl-2-[2-(2-nitrophenyl)diazenyl]phenol
IUPAC: 4-methyl-2-[(2-nitrophenyl)diazenyl]phenol
현지명: 4-메틸-2-(2'-니트로페닐)아조페놀
영어명: 4-Methyl-2-(2'-nitrophenyl)azophenol
분자식: C13H11N3O3
분자량: 257.24

이름 및 동의어

1435-71-84-Methyl-2-[2-(2-nitrophenyl)diazenyl]phenol4-Methyl-2-(2-(2-nitrophenyl)diazenyl)phenolRefChem:1987284-Methyl-2-(2'-nitrophenyl)azophenol2-[(o-Nitrophenyl)azo]-p-cresol2-Hydroxy-5-methyl-2'-nitroazobenzene2-((o-Nitrophenyl)azo)-p-cresol4-methyl-2-[(2-nitrophenyl)diazenyl]phenol(Z)-4-Methyl-2-((2-nitrophenyl)diazenyl)phenol2-nitro-2'-hydroxy-5'-methylazobenzeneF2379XLC0U

이름 더 보기

4-메틸-2-(2'-니트로페닐)아조페놀2-[(2-Nitrophenyl)azo]-p-cresol4-Methyl-2-(o-nitrophenylazo)phenol4-Methyl-2-[(2-nitrophenyl)azo]phenol2-Hydroxy-5-methyl-2''-nitroazobenzenePhenol, 4-methyl-2-[2-(2-nitrophenyl)diazenyl]-

Phenol, 4-methyl-2-((2-nitrophenyl)azo)-Phenol, 4-methyl-2-[(2-nitrophenyl)azo]-Phenol, 4-methyl-2-(2-(2-nitrophenyl)diazenyl)-2-[(2-Nitrophenyl)-azo]-p-cresolUNII-F2379XLC0UEINECS 215-863-0EC 215-863-0SCHEMBL5184493

데이터베이스 식별자

CAS: 1435-71-8
PubChem CID: 74029
DTXSID: DTXSID6027399
UNII: F2379XLC0U
EC Number: 215-863-0
Nikkaji: J30.332A

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 90.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 343

물리화학적 성질

녹는점: 108 · 108-110 °C
끓는 점: 462.5 · 462.5±45.0 °C(Predicted)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
산도 계수 (pKa): 8.55 · 8.55±0.43(Predicted)
LogP: 4 at · 4 at 20.8℃ and pH6
NIST: 4 · Phenol, 4-methyl-2-[(2-nitrophenyl)azo]-(1435-71-8)
EPA: 2 · 2-[(o-Nitrophenyl)azo]-p-cresol (1435-71-8)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99% (104 of 105) of all reports.

Not Classified

Aggregated GHS information provided per 105 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationStatus: Active Update: 29-04-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1573

Hazard Classes and CategoriesNot Classified

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 4-methyl-2-[2-(2-nitrophenyl)diazenyl]-: ACTIVE

응용 분야

용도(Z)-4-Methyl-2-((2-nitrophenyl)diazenyl)phenol is an intermediate in the synthesis of Drometrizole (D679400). Isotope labelled Drometrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers.