Cas no 898289-51-5 (2-3-(Chloromethyl)phenylpyrimidine)

2-3-(Chloromethyl)phenylpyrimidine structure
898289-51-5 structure
Product Name:2-3-(Chloromethyl)phenylpyrimidine
CAS No:898289-51-5
MF:C11H9ClN2
MW:204.655561208725
CID:720034
PubChem ID:24229567
Update Time:2024-10-26

2-3-(Chloromethyl)phenylpyrimidine Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine, 2-[3-(chloromethyl)phenyl]-
    • 2-[3-(Chloromethyl)phenyl]pyrimidine
    • 3-pyrimidin-2-ylbenzyl chloride
    • 2-[3-(Chloromethyl)phenyl]pyrimidine (ACI)
    • 2-(3-(Chloromethyl)phenyl)pyrimidine
    • 898289-51-5
    • DB-078515
    • CS-0459350
    • E84675
    • BS-53374
    • DTXSID20640280
    • SB60601
    • 2-3-(Chloromethyl)phenylpyrimidine
    • Inchi: 1S/C11H9ClN2/c12-8-9-3-1-4-10(7-9)11-13-5-2-6-14-11/h1-7H,8H2
    • InChI Key: AUWJTKGKFPDHDU-UHFFFAOYSA-N
    • SMILES: ClCC1C=C(C2N=CC=CN=2)C=CC=1

Computed Properties

  • Exact Mass: 204.04500
  • Monoisotopic Mass: 204.0454260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 169
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.2±0.1 g/cm3
  • Melting Point: 68-70
  • Boiling Point: 268.3±32.0 °C at 760 mmHg
  • Flash Point: 142.0±10.7 °C
  • Refractive Index: 1.587
  • PSA: 25.78000
  • LogP: 2.88240
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

2-3-(Chloromethyl)phenylpyrimidine Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-3-(Chloromethyl)phenylpyrimidine Pricemore >>

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2-3-(Chloromethyl)phenylpyrimidine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium borohydride Solvents: Methanol ;  12 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  reflux
Reference
Ruthenium-Catalyzed meta-Selective CAr-H Bond Formylation of Arenes
Jia, Chunqi; Wu, Nini; Cai, Xiaofeng; Li, Gang ; Zhong, Lei; et al, Journal of Organic Chemistry, 2020, 85(6), 4536-4542

2-3-(Chloromethyl)phenylpyrimidine Raw materials

2-3-(Chloromethyl)phenylpyrimidine Preparation Products

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