CAS
76391-12-3 Purity
96%
76391-12-3 Purity
96%
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Ethyl 2-isocyanatobenzoate
CAS
76393-16-3
Catalog Number
ACM76393163
Category
Other Products
Molecular Weight
191.18
Molecular Formula
C10H9NO3
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
Ethyl 2-isocyanatobenzoate, 2-Carboethoxyphenyl isocyanate, 2-Carbethoxyphenyl isocyanate, 2-Ethoxycarbonylphenyl isocyanate, 467251_ALDRICH, STK504581, ALBB-007511, CID522616, ZINC02560431, 76393-16-3
IUPAC Name
ethyl 2-isocyanatobenzoate
SMILES
CCOC(=O)C1=CC=CC=C1N=C=O
InChI Key
HXVGHXDQGUPUKY-UHFFFAOYSA-N
Boiling Point
282.9ºC at 760 mmHg
Melting Point
26-27ºC
Flash Point
>110ºC
Density
1.12g/cm³
Exact Mass
191.05800
H-Bond Acceptor
4
H-Bond Donor
0
Packing Group
III
Safety Description
S23-S26-S36/37/39-S45
Downstream Synthesis Route 1
- 76393-16-3
- 72368-50-4
- 35472-56-1
- 29055-08-1
Reference: [1] Organic Letters, 2016, vol. 18, # 11, p. 2750 - 2753
Downstream Synthesis Route 2
- 76393-16-3
- 29055-08-1
Reference: [1] Organic Letters, 2016, vol. 18, # 11, p. 2750 - 2753
Downstream Synthesis Route 3
- 504-24-5
- 76393-16-3
- 124420-84-4
Reference: [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 854 - 861
Downstream Synthesis Route 4
- 76393-16-3
- 524-38-9
- 94814-88-7
Reference: [1]Journal fur praktische Chemie (Leipzig 1954),1984,vol. 326,p. 737 - 746
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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