4-Nitro-1H-1,2,3-benzotriazole

CAS

6299-39-4

Catalog Number

ACM6299394

Category

Other Products

Molecular Weight

164.12

Molecular Formula

C₆H₄N₄O₂

MSDS COA Spec Sheet

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Specification

Synonyms

Benzotriazole, 4-nitro-, 4-Nitro-1H-benzotriazole, 1H-Benzotriazole, 4-nitro-, MLS000540987, 4-nitro-1H-1,2,3-benzotriazole, NSC44657, MolPort-001-757-733, CID80533, EINECS 228-579-7, ZINC05425412, SMR000126045, AE-641/30196004, A1991/0083711, 6299-39-4

IUPAC Name

4-nitro-2H-benzotriazole

Canonical SMILES

C1=CC2=NNN=C2C(=C1)[N+](=O)[O-]

InChI Key

UTMDJGPRCLQPBT-UHFFFAOYSA-N

Boiling Point

392.7ºC at 760 mmHg

Flash Point

191.3ºC

Density

1.638g/cm³

EC Number

228-579-7

Exact Mass

164.03300

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

95-14-7

6299-39-4

Reference: [1] Magnetic Resonance in Chemistry, 2009, vol. 47, # 2, p. 142 - 148

Upstream Synthesis Route 2

3694-52-8

6299-39-4

Reference: [1] Synthetic Communications, 2013, vol. 43, # 20, p. 2801 - 2808

Upstream Synthesis Route 3

95-14-7

6299-39-4
2338-12-7

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 17, p. 4791 - 4794
[2] Bulletin des Societes Chimiques Belges, 1984, vol. 93, # 11, p. 973 - 982
[3] Heterocycles, 2005, vol. 65, # 10, p. 2471 - 2481

Downstream Synthesis Route 1

6299-39-4
594-42-3

77065-96-4

Reference: [1]Patent: US2806035,1956,

Downstream Synthesis Route 2

6299-39-4
77-78-1

89795-90-4

Reference: [1]Patent: US2806035,1956,

Downstream Synthesis Route 3

6299-39-4

116975-12-3

Reference: [1]Collection of Czechoslovak Chemical Communications,1990,vol. 55,p. 1038 - 1048
[2]Journal of the American Chemical Society,1935,vol. 57,p. 1835,1838

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

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