104-83-6

4-氯氯苄(104-83-6)红外图谱(IR2)

产品名称:4-氯氯苄

CAS:104-83-6

分子式:C7H6Cl2

分子量: 161.03

InChI:InChI=1S/C7H6Cl2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

InChIKey: JQZAEUFPPSRDOP-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=C(CCl)C=C1

Mass

MS-NW-4806          
alpha,4-dichlorotoluene
C7H6Cl2             (Mass of molecular ion:    160)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      36.0       1.1
      37.0       1.0
      38.0       1.6
      39.0       4.3
      43.0       1.6
      44.0       3.4
      44.5       1.4
      50.0       2.7
      51.0       2.4
      61.0       1.5
      62.0       6.1
      63.0       7.9
      64.0       1.5
      73.0       2.4
      75.0       1.5
      89.0      13.8
      90.0       4.6
      99.0       4.4
     101.0       1.4
     123.0       1.0
     125.0     100.0
     126.0       7.9
     127.0      31.6
     128.0       2.6
     159.0       1.7
     160.0      19.3
     161.0       2.7
     162.0      12.5
     163.0       1.1
     164.0       2.1

parameter in CDCl3

¹H NMR	300 MHz
C₇ H₆ Cl₂	0.040 g : 0.5 ml CDCl₃
alpha,4-dichlorotoluene

    Parameter     ppm  Hz

      D(A)         7.316
     
      D(B)         4.539

     Hz     ppm     Int.

   2194.81   7.316   1000
   1361.69   4.539    500

in CDCl3

KBr disc

liquid film

4880 A,150M,powder

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Dr. J. Pharmachem (India)

Capot Chemical Co., Ltd