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
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)
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
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.
N-Bromosuccinimide Price
- Product number
- 653845
- Product name
- 3,4-Diaminobenzonitrile
- Purity
- 97%
- Packaging
- 1g
- Price
- $57.09
- Updated
- 2025/07/31
- Product number
- 653845
- Product name
- 3,4-Diaminobenzonitrile
- Purity
- 97%
- Packaging
- 10g
- Price
- $305
- Updated
- 2025/07/31
- Product number
- D5194
- Product name
- 3,4-Diaminobenzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $38
- Updated
- 2025/07/31
- Product number
- D5194
- Product name
- 3,4-Diaminobenzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $149
- Updated
- 2025/07/31
- Product number
- D416220
- Product name
- 3,4-Diaminobenzonitrile
- Packaging
- 100mg
- Price
- $50
- Updated
- 2021/12/16
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
- 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