5-Chloropyrimidine - ≥98% , CAS No.17180-94-8

CAS: 17180-94-8 Cat. No.: C191500 분자식: C₄H₃ClN₂ 분자량: 114.53 EC 번호: 675-798-2

등급 & 순도 ≥98%

Synonyms

AM86690 | FT-0600949 | A811354 | GS-6489 | Q-102308 | SCHEMBL198750 | 5-choloropyrimidine | ZLNPDTOTEVIMMY-UHFFFAOYSA-N | AB16528 | MFCD03840717 | AC-26672 | pyrimidine, 5-chloro- | BBL103126 | DTXSID30878714 | 5-Chloropyrimidine | 5-Chloro-pyrimidine | A

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

AM86690 | FT-0600949 | A811354 | GS-6489 | Q-102308 | SCHEMBL198750 | 5-choloropyrimidine | ZLNPDTOTEVIMMY-UHFFFAOYSA-N | AB16528 | MFCD03840717 | AC-26672 | pyrimidine, 5-chloro- | BBL103126 | DTXSID30878714 | 5-Chloropyrimidine | 5-Chloro-pyrimidine | A

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

528761594

정식 스마일

C1=C(C=NC=N1)Cl

IUPAC Name

5-chloropyrimidine

InChIKey

ZLNPDTOTEVIMMY-UHFFFAOYSA-N

INCHI

1S/C4H3ClN2/c5-4-1-6-3-7-2-4/h1-3H

이성체 SMILES

C1=C(C=NC=N1)Cl

분자량

114.53

Reaxy-Rn

107191

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107191&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: Not available

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

화학 및 물리적 특성

• 분자량: 114.530 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.998 Da
• Monoisotopic Mass: 113.998 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.700
• 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