Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

139327

Sigma-Aldrich

3-Nitrobenzamidine hydrochloride

95%

Sign Into View Organizational & Contract Pricing
All Photos(1)

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.)

functional group

amine
nitro

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCF8755
09512HJ
13509EE
06028LD
03309LD

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service