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Structure

4-(METHYLTHIO)BENZYL CHLORIDE

CAS
874-87-3
Catalog Number
ACM874873
Category
Other Products
Molecular Weight
172.68
Molecular Formula
C8H9ClS

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Specification

Synonyms
4-(Methylthio)benzyl chloride, 560480_ALDRICH, EINECS 212-870-0, ZINC01845602, 1-(Chloromethyl)-4-(methylthio)benzene, 1-(chloromethyl)-4-(methylsulfanyl)benzene, TL8006799, 874-87-3
IUPAC Name
1-(chloromethyl)-4-methylsulfanylbenzene
Canonical SMILES
CSC1=CC=C(C=C1)CCl
InChI Key
VWVZFHRDLPHBEG-UHFFFAOYSA-N
Boiling Point
116ºC 8mm
Flash Point
>230 °F
Density
1.17
EC Number
212-870-0
Exact Mass
172.01100
Hazard Statements
C: Corrosive;Xi: Irritant;
H-Bond Acceptor
0
H-Bond Donor
0
Packing Group
II
Safety Description
S26-S36/37/39-S45
WGK Germany
3

Upstream Synthesis Route 1

  • 3446-90-0
  • 874-87-3

Reference: [1]Ranatunge, Ramani R.; Garvey, David S.; Janero, David R.; Letts, L. Gordon; Martino, Allison M.; Murty, Madhavi G.; Richardson, Stewart K.; Young, Delano V.; Zemetseva, Irina S.
[Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 6, p. 1357 - 1366]

Downstream Synthesis Route 1

  • 874-87-3
  • 3446-89-7

Reference: [1] Journal of Organic Chemistry, 1952, vol. 17, p. 350,356

Downstream Synthesis Route 2

  • 874-87-3
  • 221615-71-0
  • 221615-72-1

Reference: [1] Patent: US6369275, 2002, B1, . Location in patent: Page column 15-16

Downstream Synthesis Route 3

  • 874-87-3
  • 143-33-9
  • 38746-92-8

Reference: [1]Ranatunge, Ramani R.; Garvey, David S.; Janero, David R.; Letts, L. Gordon; Martino, Allison M.; Murty, Madhavi G.; Richardson, Stewart K.; Young, Delano V.; Zemetseva, Irina S.
[Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 6, p. 1357 - 1366]
[2]van der Zanden et al.
[Recueil des Travaux Chimiques des Pays-Bas, 1957, vol. 76, p. 669,671]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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