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Structure

Ethyl 4-isocyanatobutyrate,97%

CAS
106508-62-7
Catalog Number
ACM106508627
Category
Other Products
Molecular Weight
157.17
Molecular Formula
C7H11NO3

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Specification

Synonyms
Ethyl 4-isocyanatobutyrate, 106508-62-7, Ethyl 4-isocyanatobutanoate, ACMC-20akye, AC1MQ3ZU, 495603_ALDRICH, AC1Q34S8, CTK4A4607, AKOS009157160, AG-D-20982, Butanoic acid,4-isocyanato-, ethyl ester, Ethyl4-isocyanatobutanoate; Ethyl 4-isocyanatobutyrate, I14-54335
IUPAC Name
ethyl 4-isocyanatobutanoate
Canonical SMILES
CCOC(=O)CCCN=C=O
InChI Key
GVDRIEURYWMQNO-UHFFFAOYSA-N
Boiling Point
214ºC(lit.)
Flash Point
220 °F
Density
1.065 g/mL at 25ºC(lit.)
Exact Mass
157.07400
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
26-36

Upstream Synthesis Route 1

  • 32315-10-9
  • 6937-16-2
  • 106508-62-7

Reference: [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 3621 - 3629
[2]Patent: US2019/270888,2019,A1 .Location in patent: Paragraph 0053; 0063

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