화학 백과사전   /  Pharmaceutical Intermediates
2, 2, 3, 3, 5, 6- 염소 페닐 structure

2, 2, 3, 3, 5, 6- 염소 페닐

 
1. 이름 및 식별자
1.1 제품명
2, 2, 3, 3, 5, 6- 염소 페닐
1.2 동의어
1,1'-Biphenyl, 2,2',3,3',5,6-hexachloro-; 1,2,4,5-tetrachloro-3-(2,3-dichlorophenyl)benzene; 2,2',3,3',5,6-HEXACHLOROBIPHENYL; BZNO 134; PCB NO 134;
1.3 CAS No.
52704-70-8
1.4 CID
40496
1.5 분자식
C12H4Cl6
1.6 Inchi
InChI=1S/C12H4Cl6/c13-6-3-1-2-5(10(6)16)9-11(17)7(14)4-8(15)12(9)18/h1-4H
1.7 InchiKey
RVWLHPJFOKUPNM-UHFFFAOYSA-N
1.8 교회법에 의거 한 SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl
1.9 이성질체 SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl
2. 성질
2.1 가용성
0.91ug/L(25 ºC)
3. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. NMR 스펙트럼
13C NMR : Predict  
1H NMR : Predict  
5. 합성 선형
52704-70-8Total: 1 합성 선형
 
 
2401-21-0
2401-21-0 72 공급자
 
52704-70-8
52704-70-8 11 공급자
6. 전구체 및 제품
업스트림 제품:
7. 화학 데이터 계산
  • Molecular Weight:360.87816g/mol
  • Molecular Formula:C12H4Cl6
  • Compound Is Canonicalized:True
  • XLogP3-AA:359.841466
  • Monoisotopic Mass:357.844416
  • Complexity:272
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count::18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADcYBwAAAHAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGAIAAAAADAKAGCAwAIAAAACAAiBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAgMAOgAAQIACBAAQAACBAAQIACAAAAAAAAA==
8. Toltal 10 공급자 자세히 보기
Tel: Update Time:2019/02/23
Tel: Update Time:2019/02/25
Tel: Update Time:2019/04/01
Tel: Update Time:2019/04/01
Tel: Update Time:2019/11/25
9. 실제 제품 정보
 
 
 
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