1,3-Bis(1-isocyanato-1-methylethyl)benzene

Base Information

Chemical Name:1,3-Bis(1-isocyanato-1-methylethyl)benzene
CAS No.:2778-42-9
Deprecated CAS:116723-39-8,85902-02-9,945843-99-2,1809802-53-6,1998085-41-8,945843-99-2
Molecular Formula:C14H16 N2 O2
Molecular Weight:244.293
Hs Code.:29291090
European Community (EC) Number:220-474-4
UNII:YMD74QL0TC
DSSTox Substance ID:DTXSID4027498
Nikkaji Number:J93.726F
Wikipedia:Tetramethylxylylene_diisocyanate
Wikidata:Q27294591
ChEMBL ID:CHEMBL3183020
Mol file:2778-42-9.mol

Synonyms:2778-42-9;1,3-BIS(1-ISOCYANATO-1-METHYLETHYL)BENZENE;1,3-Bis(2-isocyanato-2-propyl)benzene;1,3-bis(2-isocyanatopropan-2-yl)benzene;Benzene, 1,3-bis(1-isocyanato-1-methylethyl)-;m-TMXDI;m-Tetramethylxylene diisocyanate;TMXDI;Tetramethyl-m-xylylene diisocyanate;DTXSID4027498;1,3-Bis(alpha-isocyanatoisopropyl)benzene;EINECS 220-474-4;UNII-YMD74QL0TC;YMD74QL0TC;Isocyanic acid, m-phenylenediisopropylidene ester;BRN 2811946;HSDB 7724;alpha,alpha,alpha',alpha'-Tetramethyl-m-xylylene diisocyanat;m-Bis(1-isocyanato-1-methylethyl)benzene;META-TETRAMETHYLXYLENE DIISOCYANATE;alpha,alpha,alpha',alpha'-Tetramethyl-m-phenylenedimethylene diisocyanate;EC 220-474-4;DTXCID407498;Isocyanic acid, alpha,alpha,alpha',alpha'-tetramethyl-m-xylylene ester;CAS-2778-42-9;SCHEMBL34924;CHEMBL3183020;Tox21_202410;Tox21_303289;MFCD00142493;AKOS000120107;NCGC00164167-01;NCGC00164167-02;NCGC00257116-01;NCGC00259959-01;BS-43987;LS-29150;B1442;FT-0658463;1,3-bis(1-isocyanato-1-methylethyl) benzene;EN300-20551;1,3-Bis(1-isocyanato-1-methylethyl)benzene #;1,3-bis-(1-isocyanato-1-methylethyl)-benzene;Benzene, 1,3-bis(1-isocyanato-1-methylethyl-;D95302;1,3-Bis(1-isocyanato-1-methylethyl)benzene 97%;A819191;1,3-BIS(.ALPHA.-ISOCYANATOISOPROPYL)BENZENE;1,3-Bis(1-isocyanato-1-methylethyl)benzene, 97%;W-109822;Q27294591;1,3-BIS(1-ISOCYANATO-1-METHYLETHYL)BENZENE [HSDB];.ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-1,3-XYLYLENE DIISOCYANATE;.ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-M-PHENYLENEDIMETHYLENE DIISOCYANATE;ISOCYANIC ACID, .ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-M-XYLYLENE ESTER

Suppliers and Price of 1,3-Bis(1-isocyanato-1-methylethyl)benzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1,3-Bis(2-isocyanato-2-propyl)benzene
250mg
$ 45.00

TCI Chemical
1,3-Bis(2-isocyanato-2-propyl)benzene >97.0%(GC)
500g
$ 123.00

TCI Chemical
1,3-Bis(2-isocyanato-2-propyl)benzene >97.0%(GC)
25g
$ 62.00

Sigma-Aldrich
1,3-Bis(1-isocyanato-1-methylethyl)benzene 97%
100ml
$ 51.50

Sigma-Aldrich
1,3-Bis(1-isocyanato-1-methylethyl)benzene 97%
500ml
$ 156.00

American Custom Chemicals Corporation
M-PHENYL DIMETHYL DIISOCYANATE 95.00%
10G
$ 1334.03

American Custom Chemicals Corporation
M-PHENYL DIMETHYL DIISOCYANATE 95.00%
5G
$ 909.56

AK Scientific
1,3-Bis(2-isocyanato-2-propyl)benzene
25g
$ 153.00

Total 39 raw suppliers

Chemical Property of 1,3-Bis(1-isocyanato-1-methylethyl)benzene

Chemical Property:

Vapor Pressure:0.000619mmHg at 25°C
Melting Point:-10°C(lit.)
Refractive Index:n20/D 1.511(lit.)
Boiling Point:309.9°Cat760mmHg
Flash Point:126.4°C
PSA：58.86000
Density:1.01g/cm³
LogP:2.82840
Storage Temp.:0-10°C
Solubility.:Chloroform (Slightly)
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:244.121177757
Heavy Atom Count:18
Complexity:353

Purity/Quality:

99.9% ^*data from raw suppliers

1,3-Bis(2-isocyanato-2-propyl)benzene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn,N,T+
Statements: 20/21/22-36/37/38-43-50/53-48/23-36/38-26
Safety Statements: 26-36-61-60-45-36/37-28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Plastics & Rubber -> Diisocyanates
Canonical SMILES:CC(C)(C1=CC(=CC=C1)C(C)(C)N=C=O)N=C=O

Technology Process of 1,3-Bis(1-isocyanato-1-methylethyl)benzene

There total 4 articles about 1,3-Bis(1-isocyanato-1-methylethyl)benzene 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:

: C₁₄H₁₈F₂N₂O₂

: 2778-42-9,85902-02-9
1,3-bis(1-isocyanato-1-methylethyl)benzene

Guidance literature:: In 5,5-dimethyl-1,3-cyclohexadiene; at 140 ℃; for 3h; under 760.051 Torr; Concentration;

Reference yield:

: 75-13-8
isocyanic acid

: 3748-13-8
1,3-bis(1-methylethenyl)-benzene

: 2778-42-9,85902-02-9
1,3-bis(1-isocyanato-1-methylethyl)benzene

Guidance literature:: With monoammonium para-toluenesulfonate; In toluene;
DOI:10.1021/jo01024a033

Reference yield:

: 19937-49-6
1,3-bis(α-aminoisopropyl)benzene

: 2778-42-9,85902-02-9
1,3-bis(1-isocyanato-1-methylethyl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1: 5,5-dimethyl-1,3-cyclohexadiene / 3 h / 50 °C

2: 5,5-dimethyl-1,3-cyclohexadiene / 3 h / 140 °C / 760.05 Torr

In 5,5-dimethyl-1,3-cyclohexadiene;