Chloroneb Standard - 1000ug/ml in Purge and Trap Methanol , CAS No.2675-77-6

CAS: 2675-77-6 Cat. No.: C128230 분자식: C₈H₈Cl₂O₂ 분자량: 207.06 Beilstein Registry Number: 1952749 EC 번호: 220-222-3

GRADE & PURITY 1000ug/ml in Purge and Trap Methanol

Synonyms

CHLORONEB [ISO] | EINECS 220-222-3 | PFIADAMVCJPXSF-UHFFFAOYSA- | Tox21_300739 | Chloronebe [French] | CCRIS 5996 | 1,4-Dichloro-2,5-dimethoxybenzene | 1,4-dichloro-2,5-dimethoxy-benzene | AS-83520 | Chloroneb 65W Fungicide (Salt/Mix) | NCGC00163812-03 |

Storage

Room temperature

Shipped In

Normal

개요

Pesticides Single Component Standards

Specifications

동의어

CHLORONEB [ISO] | EINECS 220-222-3 | PFIADAMVCJPXSF-UHFFFAOYSA- | Tox21_300739 | Chloronebe [French] | CCRIS 5996 | 1,4-Dichloro-2,5-dimethoxybenzene | 1,4-dichloro-2,5-dimethoxy-benzene | AS-83520 | Chloroneb 65W Fungicide (Salt/Mix) | NCGC00163812-03 |

사양 및 순도

1000ug/ml in Purge and Trap Methanol

보관 조건

Room temperature

배송

Normal

이름과 식별자

• Pubchem Sid: 528772734
• 정식 스마일: COC1=CC(=C(C=C1Cl)OC)Cl
• IUPAC Name: 1,4-dichloro-2,5-dimethoxybenzene
• InChIKey: PFIADAMVCJPXSF-UHFFFAOYSA-N
• INCHI: 1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
• 이성체 SMILES: COC1=CC(=C(C=C1Cl)OC)Cl
• WGK 독일: 2
• RTECS: CZ4750000
• UN 번호: 3077
• 포장 그룹: III
• 분자량: 207.06
• Beilstein: 1952749
• Reaxy-Rn: 1952749
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1952749&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Dichlorobenzenes Anisoles Alkyl aryl ethers Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - 1,4-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: dichlorobenzene - dimethoxybenzene - aromatic fungicide

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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°C): >100°C
• 분자량: 207.050 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.99 Da
• Monoisotopic Mass: 205.99 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• 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

참고 문헌

1. Wei Guo, Yao Qin, Cheng Liu, Binbin Guo, Junhua Zou, Zenghong Xie, Ling Wu.  (2021)  Unveiling the intermediates/pathways towards photocatalytic dechlorination of 3,3′,4,4′-trtrachlorobiphenyl over Pd /TiO2(B) nanosheets.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2021.120526]