Phenol, 2,4-dichloro-3-methyl-6-nitro-

HCID 170222CAS 39549-27-4

기본 정보

표준 SMILES
Cc1c(Cl)cc([N+](=O)[O-])c(O)c1Cl
InChIKey
VMBRJHMTAZXHES-UHFFFAOYSA-N
분자식
C7H5Cl2NO3
평균 분자량
222.02 g/mol
단동위원소 질량
220.96464838

이름 및 식별자

우선 이름
Phenol, 2,4-dichloro-3-methyl-6-nitro-
IUPAC
2,4-dichloro-3-methyl-6-nitrophenol
영어명
2,4-Dichloro-3-methyl-6-nitrophenol
분자식
C7H5Cl2NO3
분자량
222.03

이름 및 동의어

39549-27-4Phenol, 2,4-dichloro-3-methyl-6-nitro-EINECS 254-502-1DTXSID20885775RefChem:860731DTXCID9010251372,4-dichloro-3-methyl-6-nitrophenol2,4-Dichloro-6-nitro-m-cresol6-nitro-2,4-dichloro-3-methylphenolSCHEMBL6010888AKOS015888800DB-069830
이름 더 보기
6-nitro-2,4-dichlor2,4-DICHLORO-6-NITRO-3-METHYLPHENOL2,4-Dichloro-3-Methyl-6-Nitro-Phenol
NS000052222-NITRO-4,6-DICHLORO-5-METHYLPHENOL

데이터베이스 식별자

CAS
39549-27-4
PubChem CID
170222
DTXSID
DTXSID20885775
EC Number
254-502-1
Nikkaji
J27.338D

물성

구조 계산 물성

XLogP
3.6
극성 표면적
66.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
13

물리화학적 성질

녹는점
77 · 77-78 °C
끓는 점
276.2 · 276.2±35.0 °C(Predicted)
밀도
1.587 · 1.587±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
4.84 · 4.84±0.50(Predicted)
Henry's Law Constant
2.3 · 2.3×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)

안전 및 규제

안전 데이터

tsca
TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 2,4-dichloro-3-methyl-6-nitro-: INACTIVE
응용 분야 · 1건

개요2,4-Dichloro-3-methyl-6-nitrophenol is a hydrocarbon solvent that is used in the synthesis of nitrotoluene. It is also used as an intermediate in the production of chlorinated phenols. The chlorination can be achieved by reacting 2,4-dichloro-3-methylphenol with hydrochloric acid and chlorine gas. The reaction with hydrochloric acid produces 2,4,6-trichlorophenol and 2,4-dichlorophenol. The reaction with chlorine gas produces 2,4,5-, and 3,5-, trichlorophenols. This chemical has been widely used in the production of organic solvents such as carbon tetrachloride and nitrobenzene.

상·하류 제품 정보

공급사17 곳

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
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厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]

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4건

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