Benzene,2,4-dichloro-1-isothiocyanato-

Name: Benzene,2,4-dichloro-1-isothiocyanato-
SKU: ACM6590961
Rating: 5 (1 reviews)

CAS

6590-96-1

Catalog Number

ACM6590961

Category

Other Products

Molecular Weight

204.08

Molecular Formula

C₇H₃Cl₂NS

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Specification

Synonyms

2,4-Dichlorophenyl isothiocyanate, 414875_ALDRICH, TOS-BB-1123, 2,4-Dichloro-1-isothiocyanatobenzene, MolPort-000-146-072, ZINC00164725, CID81066, EINECS 229-527-6, Benzene, 2,4-dichloro-1-isothiocyanato-, BBR-029528, 6590-96-1

IUPAC Name

2,4-dichloro-1-isothiocyanatobenzene

Canonical SMILES

C1=CC(=C(C=C1Cl)Cl)N=C=S

InChI Key

WVBNZZHGECFCSH-UHFFFAOYSA-N

Boiling Point

288.8ºC at 760 mmHg

Melting Point

36-40ºC(lit.)

Flash Point

128.5ºC

Density

1.41 g/mL at 25ºC(lit.)

Appearance

tan solid.

EC Number

229-527-6

Exact Mass

202.93600

Hazard Statements

C: Corrosive;

H-Bond Acceptor

H-Bond Donor

Packing Group

III

Safety Description

22-26-36/37/39-45

WGK Germany

Upstream Synthesis Route 1

463-71-8
554-00-7

6590-96-1

Reference: [1]Jiang, Shuangshuang; Tanji, Hiromi; Yin, Kejun; Zhang, Shuting; Sakaniwa, Kentaro; Huang, Jian; Yang, Yi; Li, Jing; Ohto, Umeharu; Shimizu, Toshiyuki; Yin, Hang
[Journal of Medicinal Chemistry, 2020, vol. 63, # 8, p. 4117 - 4132]

Downstream Synthesis Route 1

6590-96-1

6326-14-3

Reference: [1] Synlett, 2012, vol. 23, # 9, p. 1402 - 1406
[2] Journal of the Chemical Society, 1924, vol. 125, p. 1555
[3] Journal of the Chemical Society, 1926, p. 3043

Downstream Synthesis Route 2

6590-96-1

6326-14-3

Reference: [1]Synlett,2012,vol. 23,p. 1402 - 1406
[2]Journal of the Chemical Society,1924,vol. 125,p. 1555
[3]Journal of the Chemical Society,1926,p. 3043

Downstream Synthesis Route 3

6590-96-1

73305-13-2

Reference: [1]Serra, Silvia; Moineaux, Laurence; Vancraeynest, Christelle; Masereel, Bernard; Wouters, Johan; Pochet, Lionel; Frédérick, Raphaël
[European Journal of Medicinal Chemistry, 2014, vol. 82, p. 96 - 105]

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

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