4-Phenylsemicarbazide

Base Information

• Chemical Name: 4-Phenylsemicarbazide
• CAS No.: 537-47-3
• Molecular Formula: C7H9N3O
• Molecular Weight: 151.168
• Hs Code.: 2928000090
• European Community (EC) Number: 208-669-2
• NSC Number: 231527
• UNII: BPU96SX57A
• DSSTox Substance ID: DTXSID80201957
• Nikkaji Number: J134.375K
• Wikidata: Q27274801
• Mol file: 537-47-3.mol

Synonyms:4-PHENYLSEMICARBAZIDE;537-47-3;N-Phenylhydrazinecarboxamide;1-Amino-3-phenylurea;3-amino-1-phenylurea;Hydrazinecarboxamide, N-phenyl-;Anilinoformylhydrazine;Hydrazinecarboxanilide;Anilinocarbonylhydrazine;Semicarbazide, 4-phenyl-;Phenylaminocarbonylhydrazine;UNII-BPU96SX57A;BPU96SX57A;EINECS 208-669-2;NSC-231527;AI3-61985;1-amino-3-phenyl-urea;chondroitin sulfate E (GalNAc4,6diS-GlcA), precursor 5a;4-Phenyl semicarbazide;1-azanyl-3-phenyl-urea;N-phenylhydrazine carboxamide;N-Phenylhydrazinecarboxamide #;SCHEMBL712280;DTXSID80201957;CHEBI:168436;HMS1782N01;4-PHENYLSEMICARBAZIDE [MI];STR03408;BBL036427;MFCD00007590;NSC231527;STK500545;AKOS000121537;NSC 231527;SB73811;NCGC00331598-01;CS-0100039;FT-0619415;P0228;EN300-16997;D91930;AB01326528-02;A829761;Q27274801;Z56855648;Chondroitin sulphate e (galnac4,6Dis-glca), precursor 5a;Chondroitin sulfuric acid e (galnac4,6Dis-glca), precursor 5a;Chondroitin sulphuric acid e (galnac4,6Dis-glca), precursor 5a

Chemical Property of 4-Phenylsemicarbazide

Chemical Property:

• Appearance/Colour: White flake or needle-like crystal
• Melting Point: 122-125 °C(lit.)
• Refractive Index: 1.5860 (estimate)
• Boiling Point: 273.17°C (rough estimate)
• PKA: 10.52±0.20(Predicted)
• PSA: 67.15000
• Density: 1.275 g/cm³
• LogP: 1.84600
• Storage Temp.: ?20°C
• Sensitive.: Air Sensitive
• Water Solubility.: 699.5mg/L(15 oC)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.074561919
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99.5% ^*data from raw suppliers

4-Phenylsemicarbazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)NN

Technology Process of 4-Phenylsemicarbazide

There total 33 articles about 4-Phenylsemicarbazide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 81.0%

phenyl isocyanate (103-71-9) → 4-phenyl-semicarbazide (537-47-3)

Guidance literature:

With hydrazine hydrate; In dichloromethane; at -60 - 20 ℃;

DOI:10.1021/jm021074j

Reference yield: 72.0%

N-carboethoxyaniline (101-99-5) → 4-phenyl-semicarbazide (537-47-3)

Guidance literature:

With hydrazine hydrate; for 20h; Reflux;

Reference yield: 49.73%

N-phenyl methyl carbamate (2603-10-3) → 4-phenyl-semicarbazide (537-47-3)

Guidance literature:

With hydrazine hydrate; for 36h; Reflux;

upstream raw materials:

phenyl carbamate

N,N-diphenylurea

N⁴-phenyl acetic acid semicarbazide

benzaldehyde N-phenylsemicarbazone

Downstream raw materials:

(E)-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide

1-[3]furyl-propan-1-one-(4-phenyl semicarbazone)

1-[3]furyl-pentan-1-one-(4-phenyl semicarbazone)

N-phenyl-N'-phthalimido-urea