4-Morpholinecarbonitrile

CAS

1530-89-8

Catalog Number

ACM1530898

Category

Other Products

Molecular Weight

112.1298

Molecular Formula

C₅H₈N₂O

MSDS COA Spec Sheet

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Specification

Synonyms

4-Morpholinecarbonitrile, N-Cyanomorpholine, Morpholine-4-carbonitrile, 4-Morpholinocarbonitrile, 218529_ALDRICH, MolPort-003-927-969, ALBB-010142, CID73738, NSC44243, EINECS 216-235-9, NSC 44243, STK506240, ZINC00407026, 1530-89-8, InChI=1/C5H8N2O/c6-5-7-1-3-8-4-2-7/h1-4H

IUPAC Name

morpholine-4-carbonitrile

Canonical SMILES

C1COCCN1C#N

InChI Key

BOQOXLAQTDFJKU-UHFFFAOYSA-N

Boiling Point

71-73ºC 0.6 mm Hg(lit.)

Flash Point

220 °F

Density

1.109 g/mL at 25ºC(lit.)

Appearance

CLEAR COLOURLESS LIQUID

EC Number

216-235-9

Exact Mass

112.06400

Hazard Statements

Xn: Harmful;

H-Bond Acceptor

H-Bond Donor

Safety Description

26-37/39

Upstream Synthesis Route 1

110-91-8
506-68-3

1530-89-8

Reference: [1]Siddiqui, Salimuzzaman; Haider, S. Imtiaz; Ahmad, S. Salman; Siddiqui, B. Shaheen
[Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1985, vol. 40, # 4, p. 546 - 549]

Downstream Synthesis Route 1

1530-89-8

38952-62-4

Reference: [1] Dalton Transactions, 2013, vol. 42, # 34, p. 12460 - 12467

Downstream Synthesis Route 2

1530-89-8
780722-26-1

2827-42-1

Reference: [1]Diaz-Ortiz, Angel; Elguero, Jose; Foces-Foces, Concepcion; De La Hoz, Antonio; Moreno, Andres; Del Carmen Mateo, Maria; Sanchez-Migallon, Ana; Valiente, Gema
[New Journal of Chemistry, 2004, vol. 28, # 8, p. 952 - 958]
[2]Current Patent Assignee: Am. Cyanamid Co. - US2567847, 1946, A

Downstream Synthesis Route 3

1530-89-8

14294-10-1

Reference: [1]Culbertson; Domagala; Peterson; Bongers; Nichols
[Journal of Heterocyclic Chemistry, 1987, vol. 24, # 6, p. 1509 - 1520]
[2]Kjoer; Rubinstein
[Acta Chemica Scandinavica (1947), 1953, vol. 7, p. 528,533]
[3]Takahashi, Hitoe; Nishina, Atsuyoshi; Fukumoto, Ryo-Hei; Kimura, Hirokazu; Koketsu, Mamoru; Ishihara, Hideharu
[Life Sciences, 2005, vol. 76, # 19, p. 2185 - 2192]
[4]Current Patent Assignee: CYCLACEL PHARMACEUTICALS, INC. - WO2004/43953, 2004, A1
Location in patent: Page 66

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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