Pentachloroethane solution - 1000μg/ml,in Purge and Trap Methanol , CAS No.76-01-7

CAS: 76-01-7 Cat. No.: P141188 분자식: CCl₃CHCl₂ 분자량: 202.29 EC 번호: 200-925-1 PubChem CID: 6419

등급 & 순도 1000μg/ml,in Purge and Trap Methanol

Synonyms

BRN 1736845 | Tox21_201141 | Pentachloraethan [German] | CAS-76-01-7 | NCGC00248935-01 | 1,1,1,2,2-Pentachloro-ethane | DTXSID7021104 | Pentachloorethaan [Dutch] | DTXCID901104 | Pentaline | 4-01-00-00147 (Beilstein Handbook Reference) | Cl3CCHCl2 | STL28

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

사양

동의어

BRN 1736845 | Tox21_201141 | Pentachloraethan [German] | CAS-76-01-7 | NCGC00248935-01 | 1,1,1,2,2-Pentachloro-ethane | DTXSID7021104 | Pentachloorethaan [Dutch] | DTXCID901104 | Pentaline | 4-01-00-00147 (Beilstein Handbook Reference) | Cl3CCHCl2 | STL28

사양 및 순도

1000μg/ml,in Purge and Trap Methanol

보관 조건

Store at 2-8°C

배송

Wet ice,FedEx DG Service

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이름과 식별자

Pubchem Sid

508812332

정식 스마일

C(C(Cl)(Cl)Cl)(Cl)Cl

IUPAC Name

1,1,1,2,2-pentachloroethane

InChIKey

BNIXVQGCZULYKV-UHFFFAOYSA-N

INCHI

1S/C2HCl5/c3-1(4)2(5,6)7/h1H

이성체 SMILES

C(C(Cl)(Cl)Cl)(Cl)Cl

PubChem CID

6419

UN 번호

1669

포장 그룹

II

분자량

202.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(비인간)

Aspergillus nidulans (364 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.502
• 끓는점(°C): 161-162 °C
• 녹는점(°C): -29 °C
• 분자량: 202.300 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 201.849 Da
• Monoisotopic Mass: 199.852 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1