4-Amino-2-iodobenzonitrile 98

CAS

33348-34-4

Catalog Number

ACM33348344

Category

Other Products

Molecular Weight

244.03247

Molecular Formula

C₇H₅IN₂

MSDS COA Spec Sheet

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Specification

Synonyms

4-Amino-3-iodobenzonitrile, 33348-34-4, 4-Cyano-2-iodoaniline, 1-Amino-2-iodo-4-cyanobenzene, 4-AMINO-3-IODOBENZENECARBONITRILE, PubChem18486, ACMC-20a6lw, SureCN98131, AC1N9U4Y, 657123_ALDRICH, Benzonitrile, 4-amino-3-iodo-, MolPort-002-500-875, ANW-59490, SBB063646, ZINC02526542, AKOS015889706, AB17464, AM61462, TF10227, 4-AMINO-2-IODOBENZONITRILE 98

IUPAC Name

4-amino-3-iodobenzonitrile

Canonical SMILES

C1=CC(=C(C=C1C#N)I)N

InChI Key

UOWVTQFTEAYDLM-UHFFFAOYSA-N

Boiling Point

328.3ºC at 760 mmHg

Melting Point

112-115ºC(lit.)

Flash Point

152.3ºC

Density

1.98 g/cm³

Exact Mass

243.95000

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36

Upstream Synthesis Route 1

873-74-5

33348-34-4

Reference: [1]Tahara, Kazukuni; Fujita, Takumi; Sonoda, Motohiro; Shiro, Motoo; Tobe, Yoshito
[Journal of the American Chemical Society, 2008, vol. 130, # 43, p. 14339 - 14345]

Downstream Synthesis Route 1

22121-86-4
33348-34-4

105191-13-7

Reference: [1] European Journal of Organic Chemistry, 2011, # 34, p. 6902 - 6908

Downstream Synthesis Route 2

33348-34-4

69113-59-3

Reference: [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 16, p. 2857 - 2863

Downstream Synthesis Route 3

33348-34-4

55586-26-0

Reference: [1] Chemical Communications, 2003, # 3, p. 396 - 397

Downstream Synthesis Route 4

33348-34-4

159719-57-0

Reference: [1]Vaidyanathan, Ganesan; Affleck, Donna J.; Zalutsky, Michael R.
[Journal of Medicinal Chemistry, 1994, vol. 37, # 21, p. 3655 - 3662]

Downstream Synthesis Route 5

127-17-3
33348-34-4

169463-44-9

Reference: [1]Robertson, William M.; Kastrinsky, David B.; Hwang, Inkyu; Boger, Dale L.
[Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 9, p. 2722 - 2725]
[2]Rosauer, Keith G.; Ogawa, Anthony K.; Willoughby, Chris A.; Ellsworth, Kenneth P.; Geissler, Wayne M.; Myers, Robert W.; Deng, Qiaolin; Chapman, Kevin T.; Harris, Georgianna; Moller, David E.
[Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 24, p. 4385 - 4388]
[3]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2009/153307, 2009, A1
Location in patent: Page/Page column 43
[4]Current Patent Assignee: GLAXOSMITHKLINE PLC - US2010/29729, 2010, A1
Location in patent: Page/Page column 20

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