ChemicalBook--->CAS DataBase List--->3544-25-0

3544-25-0

3544-25-0 Structure

3544-25-0 Structure
IdentificationMore
[Name]

4-Aminophenylacetonitrile
[CAS]

3544-25-0
[Synonyms]

2-(4-AMINOPHENYL)ACETONITRILE
4-AMINOBENZYL CYANIDE
4-AMINOPHENYLACETONITRILE
AKOS 220-20
P-AMINOBENZYL CYANIDE
P-AMINOPHENYLACETONITRILE
TIMTEC-BB SBB004218
aminophenylacetonitrile
Benzeneacetonitrile, 4-amino-
4-Aminophenylacetic acid nitrile
4-Aminophenylacetonitrile,99%
4-AMINOBENZYL CYANIDE/4-AMINOPHENYLACETONITRILE
4-AMINOPHENYLACETONITRILE 98%
4-(Cyanomethyl)aniline
4-Amino-1-benzeneacetonitrile
[EINECS(EC#)]

222-587-4
[Molecular Formula]

C8H8N2
[MDL Number]

MFCD00007912
[Molecular Weight]

132.16
[MOL File]

3544-25-0.mol
Chemical PropertiesBack Directory
[Appearance]

yellow to brown crystalline powder, crystals
[Melting point ]

45-48 °C(lit.)
[Boiling point ]

312 °C(lit.)
[density ]

1.4747 (rough estimate)
[refractive index ]

1.6231 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

soluble in Methanol
[form ]

Crystalline Powder, Crystals or Chunks
[pka]

4.25±0.10(Predicted)
[color ]

Yellow to brown
[Water Solubility ]

SLIGHTLY SOLUBLE
[BRN ]

1100108
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[InChIKey]

YCWRFIYBUQBHJI-UHFFFAOYSA-N
[CAS DataBase Reference]

3544-25-0(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Aminophenylacetic acid nitrile(3544-25-0)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

3276
[WGK Germany ]

3
[Hazard Note ]

Harmful
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269095
Raw materials And Preparation ProductsBack Directory
[Raw materials]

p-Nitrophenylacetonitrile-->Activated carbon-->Palladium-->Methanol-->Hydrogen
[Preparation Products]

4-Hydroxyphenylacetamide-->4-Acetamidophenylacetonitrile-->1-(Chloromethyl)-3,5-bis(methylsulfonyl)benzene-->6-Benzothiazoleacetonitrile,2-amino-(9CI)-->Benzyl N-[4-(cyanomethyl)phenyl]carbamate-->(4-amino-3,5-dichlorophenyl)acetonitrile-->4-(1H-Tetrazol-5-ylmethyl)aniline-->2-Chloro-N-[4-(cyanomethyl)phenyl]acetamide-->(4-Amino-3-bromo-phenyl)-acetonitrile-->(4-hydrazinophenyl)acetonitrile-->4-(N-BOC-AMinophenyl)acetonitrile
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Aminophenylacetonitrile(3544-25-0).msds
Hazard InformationBack Directory
[Chemical Properties]

yellow to brown crystalline powder, crystals
[Uses]

4-Aminobenzyl Cyanide can be used to prevent or treat influenza.
[Synthesis Reference(s)]

Synthetic Communications, 22, p. 3189, 1992 DOI: 10.1080/00397919208021132
[Synthesis]

P-Nitrophenylacetonitrile (10 g, 61.67 mmol) was dissolved in methanol (50 mL). Add 10 per cent Pd/C (1.0g), Replace the reaction system four times with H2, and Stir at room temperature overnight in an H2 environment (0.5 MPa).TLC analysis, the reaction was complete, and the reaction solution was filtered through celite. The filtrate was concentrated under reduced pressure to give 8.08g of 4-Aminophenylacetonitrile; the yield was 99.1 per cent.
[References]

[1] Tetrahedron Letters, 1984, vol. 25, # 45, p. 5219 - 5222
[2] Tetrahedron Letters, 1984, vol. 25, # 45, p. 5219 - 5222
[3] Organometallics, 2017, vol. 36, # 16, p. 3110 - 3116
[4] Applied Organometallic Chemistry, 2018, vol. 32, # 1,
[5] Tetrahedron Letters, 2001, vol. 42, # 12, p. 2285 - 2288
Spectrum DetailBack Directory
[Spectrum Detail]

4-Aminophenylacetonitrile(3544-25-0)MS
4-Aminophenylacetonitrile(3544-25-0)1HNMR
4-Aminophenylacetonitrile(3544-25-0)13CNMR
4-Aminophenylacetonitrile(3544-25-0)IR1
4-Aminophenylacetonitrile(3544-25-0)IR2
4-Aminophenylacetonitrile(3544-25-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Aminobenzyl cyanide, 99%(3544-25-0)
[Alfa Aesar]

4-Aminophenylacetonitrile, 99%(3544-25-0)
[Sigma Aldrich]

3544-25-0(sigmaaldrich)
[TCI AMERICA]

4-Aminobenzyl Cyanide,>98.0%(GC)(T)(3544-25-0)
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