CAS
6590-93-8 Purity
96%
6590-93-8 Purity
96%
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Benzene,1,2-dichloro-3-isothiocyanato-
CAS
6590-97-2
Catalog Number
ACM6590972
Category
Other Products
Molecular Weight
204.0764
Molecular Formula
C7H3Cl2NS
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
476005_ALDRICH, 2,3-Dichlorophenyl isothiocyanate, ZINC00164795, BBR-050288, CID2796281, 6590-97-2
IUPAC Name
1,2-dichloro-3-isothiocyanatobenzene
SMILES
C1=CC(=C(C(=C1)Cl)Cl)N=C=S
InChI Key
RQZIODPVCCTBAQ-UHFFFAOYSA-N
Boiling Point
311.3ºC at 760 mmHg
Flash Point
142.1ºC
Density
1.434
Exact Mass
202.93600
Hazard Statements
C: Corrosive;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S36/37/39-S45
WGK Germany
3
Downstream Synthesis Route 1
- 6590-97-2
- 538372-37-1
- 861259-01-0
Reference: [1]Patent: WO2005/70906,2005,A1 .Location in patent: Page/Page column 25
Downstream Synthesis Route 2
- 921222-14-2
- 6590-97-2
- 921222-15-3
Reference: [1]Patent: WO2007/9774,2007,A1 .Location in patent: Page/Page column 26
Downstream Synthesis Route 3
- 6590-97-2
- 51940-44-4
- 1206482-79-2
Reference: [1]Location in patent: experimental part
Hoeglund, Adrienne B.; Bostic, Heidi E.; Howard, Angela L.; Wanjala, Irene W.; Best, Michael D.; Baker, Daniel L.; Parrill, Abby L.
[Journal of Medicinal Chemistry, 2010, vol. 53, # 3, p. 1056 - 1066]
[2]Current Patent Assignee: TENNESSEE BOARD OF REGENTS - US2012/100592, 2012, A1
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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