CAS
20595-53-3 Purity
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20595-53-3 Purity
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Benzene,1-iodo-4-isothiocyanato-
CAS
2059-76-9
Catalog Number
ACM2059769
Category
Other Products
Molecular Weight
261.0828
Molecular Formula
C7H4INS
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Specification
Synonyms
4-Ipitc, 4-Iodophenyl isothiocyanate, 4-Iodophenylisothiocyanate, 1-Iodo-4-isothiocyanatobenzene, 475947_ALDRICH, CID74938, NSC129262, ZINC00164196, BBV-213113, BENZENE, 1-IODO-4-ISOTHIOCYANATO-, NSC 129262, 2059-76-9, InChI=1/C7H4INS/c8-6-1-3-7(4-2-6)9-5-10/h1-4
IUPAC Name
1-iodo-4-isothiocyanatobenzene
Canonical SMILES
C1=CC(=CC=C1N=C=S)I
InChI Key
SNLGBRZZFRSXHA-UHFFFAOYSA-N
Boiling Point
299.5ºC at 760 mmHg
Melting Point
70-76ºC
Flash Point
134.9ºC
Density
1.76 g/cm³
Exact Mass
260.91100
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
1
H-Bond Donor
0
Packing Group
II
Safety Description
S26-S36/37/39
WGK Germany
3
Downstream Synthesis Route 1
- 2059-76-9
- 32022-41-6
- 40487-73-8
Reference: [1]Singh; Nagar; Chaudhari; Parmar
[Journal of Pharmaceutical Sciences, 1973, vol. 62, # 3, p. 504 - 507]
Downstream Synthesis Route 2
- 141244-86-2
- 2059-76-9
- 52939-44-3
Reference: [1]Tiwari; Sen Gupta; Kumar
[Journal of the Indian Chemical Society, 1974, vol. 51, # 3, p. 402 - 404]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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