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Merck
CN

D219800

1,3-Di-p-tolylcarbodiimide

96%

Synonym(s):

N,N′-Methanetetraylbis[4-methyl]benzenamine, Bis(4-methylphenyl)carbodiimide, NSC 20627

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About This Item

Linear Formula:
CH3C6H4N=C=NC6H4CH3
CAS Number:
726-42-1
Molecular Weight:
222.29
EC Number:
211-971-7
MDL number:
MFCD00010701
UNSPSC Code:
12352002
PubChem Substance ID:
24893653
NACRES:
NA.22

Key Documents

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Assay

96%

form

powder

reaction suitability

reaction type: Coupling Reactions

bp

221-223 °C/20 mmHg (lit.)

mp

56-58 °C (lit.)

application(s)

peptide synthesis

storage temp.

2-8°C

SMILES string

Cc1ccc(cc1)N=C=Nc2ccc(C)cc2

InChI

1S/C15H14N2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-10H,1-2H3

InChI key

BOSWPVRACYJBSJ-UHFFFAOYSA-N

Application

Reactant for synthesis of:
  • Cyclic guanidines
  • Five membered heterometallacycloallenes
  • Benzimidazoles or quinazolines via nucleophilic addition and intramolecular C-C bond formation
  • Benzoxazole and benzimidazole derivatives via cross-coupling reactions
  • Gem-difluorodihydrouracil derivatives via addition reactions

Reactant for ketene cycloadditions

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBS5014V
MKBP3138V
MKBH2138V
16399MJ
11822TS

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Thi Kim Hoang Trinh et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 25(39), 9242-9252 (2019-04-26)
In the search of smarter routes to control the conditions of N-heterocyclic carbene (NHCs) formation, a two-component air-stable NHC photogenerating system is reported. It relies on the irradiation at 365 nm of a mixture of 2-isopropylthioxanthone (ITX) with 1,3-bis(mesityl)imidazoli(ni)um tetraphenylborate. The

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