ChemicalBook > CAS DataBase List > 3,4-Diaminobenzonitrile

3,4-Diaminobenzonitrile

Product Name: 3,4-Diaminobenzonitrile
CAS No.: 17626-40-3
Chemical Name: 3,4-Diaminobenzonitrile
Synonyms: BUTTPARK 43\57-88;2-AMino-4-cyanoaniline;3,4-DIAMINOBENZONITRILE;Benzonitrile,3,4-diaMino-;4-Cyanobenzene-1,2-diamine;1,2-DiaMino-4-cyanobenzene;4-Cyano-o-phenylenediaMine;4-Cyano-1,2-phenylenediaMine;3,4-DIAMINOBENZONITRILE 95+%;4-Cyanobenzene-1,2-diamine, 4-Cyanophenylene-1,2-diamine
CBNumber: CB9413669
Molecular Formula: C7H7N3
Formula Weight: 133.15
MOL File: 17626-40-3.mol

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3,4-Diaminobenzonitrile Property

Melting point:: 144-148 °C
Boiling point:: 368.7±27.0 °C(Predicted)
Density: 1.24±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Soluble in dichloromethane, methanol and ethyl acetate.
pka: 2.35±0.10(Predicted)
form: Solid
color: Pale brown
λmax: 316nm(THF)(lit.)
Stability:: Store in freezer at -20°C
InChI: InChI=1S/C7H7N3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,9-10H2
InChIKey: VWLLPPSBBHDXHK-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(N)C(N)=C1
CAS DataBase Reference: 17626-40-3(CAS DataBase Reference)

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Safety

Hazard Codes: Xn,Xi
Risk Statements: 22-36/37/38-20/21/22
Safety Statements: 26-36-36/37
RIDADR: 3276
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
HS Code: 29269090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 653845
Product name: 3,4-Diaminobenzonitrile
Purity: 97%
Packaging: 1g
Price: $57.09
Updated: 2025/07/31

Sigma-Aldrich

Product number: 653845
Product name: 3,4-Diaminobenzonitrile
Purity: 97%
Packaging: 10g
Price: $305
Updated: 2025/07/31

TCI Chemical

Product number: D5194
Product name: 3,4-Diaminobenzonitrile
Purity: >98.0%(GC)
Packaging: 1g
Price: $38
Updated: 2025/07/31

TCI Chemical

Product number: D5194
Product name: 3,4-Diaminobenzonitrile
Purity: >98.0%(GC)
Packaging: 5g
Price: $149
Updated: 2025/07/31

Usbiological

Product number: D3449-30
Product name: 3,4-Diaminobenzonitrile
Packaging: 100mg
Price: $368
Updated: 2021/12/16

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3,4-Diaminobenzonitrile Chemical Properties,Usage,Production

Chemical Properties

White to light yellow crystal powde

Uses

A synthetic intermediate

Uses

3,4-Diaminobenzonitrile is usually used like?synthetic intermediate.

Synthesis Reference(s)

Journal of Medicinal Chemistry, 36, p. 1746, 1993 DOI: 10.1021/jm00064a008

Synthesis

6393-40-4

17626-40-3

The general procedure for the synthesis of 3,4-diaminobenzonitrile from 4-amino-3-nitrobenzonitrile was as follows: palladium/carbon catalyst (500 mg, 10% purity) was added to a stirring solution of 4-amino-3-nitrobenzonitrile (2.00 g, 12.3 mmol) in methanol (20 mL). Subsequently, the reaction flask was degassed and filled with hydrogen (using a hydrogen balloon). The reaction mixture was stirred vigorously for 18 hours at 25°C. Upon completion of the reaction, the mixture was degassed under vacuum and backfilled with nitrogen, and this process was repeated three times. Afterwards, the reaction mixture was filtered through a diatomaceous earth pad and the filtrate was concentrated under vacuum to give 3,4-diaminobenzonitrile (1.47 g, 11.04 mmol, 90% yield) as a green oil, which was used directly in the next step of the reaction.

References

[1] Australian Journal of Chemistry, 1994, vol. 47, # 9, p. 1751 - 1770
[2] Journal of Medicinal Chemistry, 1993, vol. 36, # 12, p. 1746 - 1753
[3] Journal of Medicinal Chemistry, 1996, vol. 39, # 4, p. 992 - 998
[4] Bioorganic and Medicinal Chemistry, 2002, vol. 10, # 8, p. 2589 - 2596
[5] Patent: WO2018/81167, 2018, A1. Location in patent: Page/Page column 244

3,4-Diaminobenzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3,4-Diaminobenzonitrile manufacturers

Career Henan Chemical Co

Product: 3,4-Diaminobenzonitrile 17626-40-3
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100kg
Release date: 2019-07-11

17626-40-3, 3,4-DiaminobenzonitrileRelated Search:

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17626-40-3

C7H7N3

C6H3NH22C8801N

Building Blocks

C6 to C7

Cyanides/Nitriles

Organic Building Blocks

Nitrogen Compounds

Heterocyclic Compounds

Neurochemicals

Phenyls & Phenyl-Het

C6 to C7

Cyanides/Nitriles

Nitrogen Compounds

Building Blocks

C6 to C7

Chemical Synthesis

Nitrogen Compounds

Phenyls & Phenyl-Het

Nitrile

heterocyclic/Aliphatic series

Organic Building Blocks