4,4'-Diisothiocyanatodiphenylmethane

Base Information

• Chemical Name: 4,4'-Diisothiocyanatodiphenylmethane
• CAS No.: 2798-05-2
• Molecular Formula: C15H10N2S2
• Molecular Weight: 282.39
• Hs Code.: 2930909090
• European Community (EC) Number: 625-293-8
• DSSTox Substance ID: DTXSID10374300
• Nikkaji Number: J291.540E
• Mol file: 2798-05-2.mol

Synonyms:4,4'-Diisothiocyanatodiphenylmethane;2798-05-2;1-isothiocyanato-4-[(4-isothiocyanatophenyl)methyl]benzene;4,4'-Methylenebis(phenyl isothiocyanate);Bis(4-isothiocyanatophenyl)methane;4,4-Diisothiocyanatodiphenylmethane;Benzene, 1,1'-methylenebis[4-isothiocyanato-;SCHEMBL1193625;DTXSID10374300;4,4 inverted exclamation marka-Methylenebis(phenyl isothiocyanate);CAA79805;MFCD01310811;AKOS015898530;4,4-Methylenebis(phenyl isothiocyanate);FT-0634494;J-016937

Chemical Property of 4,4'-Diisothiocyanatodiphenylmethane

Chemical Property:

• Melting Point: 139-143oC(lit.)
• Boiling Point: 453.7oC at 760 mmHg
• Flash Point: 247.1oC
• PSA: 88.90000
• Density: 1.15g/cm3
• LogP: 4.74600
• Storage Temp.: 2-8°C
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 282.02854067
• Heavy Atom Count: 19
• Complexity: 332

Purity/Quality:

98%min ^*data from raw suppliers

4,4'-Diisothiocyanatodiphenylmethane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=S)N=C=S

Technology Process of 4,4'-Diisothiocyanatodiphenylmethane

There total 6 articles about 4,4'-Diisothiocyanatodiphenylmethane 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: 90.0%

4,4'-diamino diphenyl methane (101-77-9) + 1,1'-Thiocarbonyldi-2(1H)-pyridone (102368-13-8) → 4,4'-di(isothiocyano)diphenylmethane (2798-05-2)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1002/1099-0690(200011)2000:22<3787::aid-ejoc3787>3.0.co;2-0

Reference yield: 88.0%

carbon disulfide (75-15-0,12122-00-8) + 4,4'-diiminophosphorodiphenylmethane (1006367-90-3) → 4,4'-di(isothiocyano)diphenylmethane (2798-05-2)

Guidance literature:

In toluene; for 3h; Reflux;

Reference yield: 72.0%

C17H18N2S4 (121711-44-2) → 4,4'-di(isothiocyano)diphenylmethane (2798-05-2)

Guidance literature:

With ammonium hydroxide; mercury(II) oxide; In N,N-dimethyl-formamide; at 40 ℃; for 4h;

upstream raw materials:

C₁₇H₁₈N₂S₄

4,4'-diamino diphenyl methane

1,1'-Thiocarbonyldi-2(1H)-pyridone

carbon disulfide

Downstream raw materials:

C₂₇H₂₄N₄S₂

C₆₉H₈₀N₁₂O₆S₂

5,5'-(4,4'-methanediyl-dianilino)-bis-[1,2,3,4]thiatriazole

4,4'-Bis--diphenylmethan

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