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Sigma-Aldrich

3-Nitrobenzamidine hydrochloride

95%

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About This Item

Linear Formula:
O2NC6H4C(=NH)NH2 · HCl
CAS Number:
56406-50-9
Molecular Weight:
201.61
EC Number:
260-159-9
MDL number:
MFCD00012844
UNSPSC Code:
12352100
PubChem Substance ID:
24848404
NACRES:
NA.22

Assay

95%

impurities

5% ammonium chloride

mp

245-248 °C (lit.)

SMILES string

Cl.NC(=N)c1cccc(c1)[N+]([O-])=O

InChI

1S/C7H7N3O2.ClH/c8-7(9)5-2-1-3-6(4-5)10(11)12;/h1-4H,(H3,8,9);1H

InChI key

DKNQVJWYIUJWNC-UHFFFAOYSA-N

Application

3-Nitrobenzamidine hydrochloride was used as reagent during the synthesis of (Z)-3-benzoylamino-4-dimethylamino-2-oxo-3-butene.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Transformations of (Z)-2-benzoylamino-4-dimethylamino-2-oxo-3-butene and (E)-3-benzoylamino-4-cyano-2-oxo-3-butene into pyrimidine, pyrazole and isoxazole derivatives.
Bratusek U, et al.
ARKIVOC (Gainesville, FL, United States), 77, 86-86 (2003)
J A Raleigh et al.
Cancer clinical trials, 3(1), 55-62 (1980-01-01)
Normal tissue toxicity of nitroaromatic radiosensitizers may originate in radiosensitizer/nitroreductase interaction. A study of two mammalian cell nitroreductases, xanthine oxidase and NADH cytochrome c reductase, shows that the efficiency of electron transfer is dependent on sensitizer electron affinity and not

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