3,4-Diaminobenzonitrile
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3,4-Diaminobenzonitrile
structure -
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CAS No:
17626-40-3
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Formula:
C7H7N3
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Chemical Name:
3,4-Diaminobenzonitrile
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Synonyms:
Benzonitrile,3,4-diamino-;3,4-Diaminobenzonitrile;4-Cyano-1,2-diaminobenzene;2-Amino-4-cyanoaniline;4-Cyano-o-phenylenediamine;1,2-Diamino-4-cyanobenzene;4-Cyano-1,2-benzenediamine;4-Cyano-1,2-phenylenediamine
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CAS No:
Characteristics
75.8
0.4
Pale brown Solid
1.24±0.1 g/cm3(Predicted)
147.5 °C @ Solvent: Water
368.7±27.0 °C(Predicted)
176.8±23.7 °C
1.640
Soluble in dichloromethane, methanol and ethyl acetate.
Amber Vial, -20°C Freezer
Safety Information
III
6.1
3276
3
22-36/37/38-20/21/22
26-36-36/37
Xn,Xi
Irritant
Store in freezer at -20°C
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4-Diaminobenzonitrile Use and Manufacturing
To a stirred solution of 4-amino-3-nitro-benzonitrile (2.00 g, 12.3 mmol) in methanol (20 mL) was added Pd/C (500 mg, 10percent purity), then the flask was degassed and filled with hydrogen three times, and the reaction mixture stirred vigorously under hydrogen (balloon) for 18 h at 25 °C. The mixture wasevacuated and backfilled with nitrogen three times, then filtered through a pad of celite, and the filtrate concentrated in vacuo to give 3, 4-diaminobenzonitrile (1 .47 g, 11 .04 mmol, 90 percent) as a green oil that was used in next step directly.1g (6.1mmol) 4-Amino-3-nitrobenzonitrile was dissolved in 50ml ethanol and was subjected to hydrogenation using 35 psi of HA solution of 10 g (61.3 mmol) of 4-amino-3-nitrobenzonitrile and 50 g of stannous chloride in 200 ml of ethanol was refluxed under nitrogen atmosphere for 6 hours, then sinking into water, To pH 8 ~ 9, then filter the filtrate, and then washed twice, after drying, extracted with ethyl acetate, concentrated and recrystallized 5.75 grams (yield 70.4percent)
A synthetic intermediate
Computed Properties
Molecular Weight:133.15
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:133.063997236
Monoisotopic Mass:133.063997236
Topological Polar Surface Area:75.8
Heavy Atom Count:10
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 3,4-Diaminobenzonitrile
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CN
1 YR
Business licensedTrader Supplier of Semag lutide,Tirzepatide,Retatrutide,raw material,GHK-CU,TB500(Thymosin B4 AceTate),Cosmetic IngredientsInquiryUnit Price: $18 /UNIT FOBCAS No.: 17626-40-3Grade: Pharmaceutical GradeContent: 99% -
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CN
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Business licensed Certified factoryManufactory Supplier of Active Pharm Ingredients,Chemical Catalyst,Pharmaceutical Intermediates,Flavors and Fragrances,Agrochemicals,Chemical Pesticides,Organic Intermediates,OLED IntermediatesInquiryCAS No.: 17626-40-3Grade: Pharmaceutical GradeContent: 99%
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