CAS
1602-40-0 Purity
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1602-40-0 Purity
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Benzoic acid,2-isothiocyanato-, methyl ester
CAS
16024-82-1
Catalog Number
ACM16024821
Category
Other Products
Molecular Weight
193.22
Molecular Formula
C9H7 N O2 S
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Specification
Synonyms
Methyl 2-isothiocyanatobenzoate, ZINC00164763, CID85243, EINECS 240-164-2, SBB010050, 16024-82-1
IUPAC Name
methyl 2-isothiocyanatobenzoate
Canonical SMILES
COC(=O)C1=CC=CC=C1N=C=S
InChI Key
UNXVHBOJSCWVCD-UHFFFAOYSA-N
Boiling Point
150ºC
Melting Point
25ºC
Flash Point
126ºC
Density
1.25
Appearance
DARK RED TO BROWN LIQUID
EC Number
240-164-2
Exact Mass
193.02000
Hazard Statements
Xn,Xi
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S37-S39
Downstream Synthesis Route 1
- 16024-82-1
- 100-01-6
- 72176-80-8
Reference: [1]Garin, Javier; Melendez, Enrique; Merchan, Francisco L.; Merino, Pedro; Orduna, Jesus; Tejero, Tomas
[Journal of Heterocyclic Chemistry, 1991, vol. 28, # 2, p. 359 - 363]
Downstream Synthesis Route 2
- 16024-82-1
- 765-30-0
- 146381-56-8
Reference: [1]Beyrich, Thorsten; Theiss
[Pharmazie, 1998, vol. 53, # 12, p. 853 - 858]
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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