1,3-bis(phenylamino)urea

• ChemBase ID: 53499
• Molecular Formular: C13H14N4O
• Molecular Mass: 242.27646
• Monoisotopic Mass: 242.11676109
• SMILES: C(=O)(NNc1ccccc1)NNc1ccccc1
• Canonical SMILES: O=C(NNc1ccccc1)NNc1ccccc1
• InChI: InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)
• InChIKey: KSPIHGBHKVISFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis(phenylamino)urea
• IUPAC Traditional name: 1,5-diphenylcarbazide
• Synonyms: N'',N'''-Diphenylcarbonohydrazide; sym.-Diphenylcarbazide; 1,5-Diphenylcarbazide, ACS; 1,5-Diphenylcarbazide; 1,5-Diphenylcarbohydrazide; 1,5-Diphenylcarbazide; sym-DIPHENYLCARBAZIDE; 1,5-Diphenylcarbazide; 1,5-二苯基卡巴肼,ACS; 1,5-二苯基羰酰二肼; 1,5-二苯羰酰肼; 对称二苯氨基脲; 1,5-二苯基卡巴肼

Database IDs

• CAS Number: 140-22-7
• EC Number: 205-403-7
• MDL Number: MFCD00003013
• Beilstein Number: 752039
• Merck Index: 143321
• PubChem SID: 24859969; 24855693; 162058262; 24894160; 24866500
• PubChem CID: 8789

CALCULATED PROPERTIES

• Acid pKa: 12.778579
• H Acceptors: 3
• H Donor: 4
• LogD (pH = 5.5): 2.8405724
• LogD (pH = 7.4): 2.8405707
• Log P: 2.8405724
• Molar Refractivity: 72.5038 cm^3
• Polarizability: 26.379684 Å^3
• Polar Surface Area: 65.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: aqueous acetone: passes test; Soluble in hot alcohol, acetone, glacial acetic acid
• Apperance: Crystalline
• Melting Point: 170-175 °C; 170-175 °C(lit.); 170-175°C; 170-176°C; 171-175 °C; 173-176 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Protect from light
• Storage Warning: Air & Light Sensitive; IRRITANT
• RTECS: FF2750000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (HPLC); ≥98% (HPLC); ≥98.0%; 97%; 97+%
• Grade: ACS reagent; for metal titration; JIS special grade; puriss. p.a.; purum p.a.; Reag. Ph. Eur.; reagent grade
• Suitability: passes test for Hg detection; passes test for sensitivity to chromate
• Ignition Residue: ≤0.05%; ≤0.05% (as SO4)
• Impurities: ≤0.1% insoluble matter in ethanol; diphenylcarbazone, in accordance
• Quality: for the determination of Cd, Cr, Mg, SO4 and others
• Linear Formula: C6H5NHNHCONHNHC6H5

DETAILS

MP Biomedicals - 02150972

Reagent for copper determination.

MP Biomedicals - 05214641

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D7766

包装
10, 25, 100 g in glass bottle

Sigma Aldrich - 42860

Other Notes
Reagent for the determination of chromium and other metals1

Sigma Aldrich - 259225

Packaging
25, 100 g in glass bottle

REFERENCES

• Reagent for the determination of Cr, Cd, Mg, etc..