3,3'-Dichlorodiphenyl 4,4'-diisocyanate
Product Information
Molecular Formula
C14H6Cl2N2O2
Molecular Weight
305.12
Description
3,3'-Dichlorodiphenyl 4,4'-diisocyanate is a highly potent chemical compound commonly employed in the biomedical sector and demonstrates remarkable versatility and significance in the synthesis of diverse pharmaceuticals and polymers. Operating as a pivotal constituent, it actively contributes to the production of top-tier polyurethane foams, coatings, and adhesives, thereby elevating their performance levels. Furthermore, its utilization in the creation of targeted drug delivery systems, specifically designed for combating ailments like cancer, exemplifies its paramount importance in the realm of medical advancements.
Synonyms
3,3'-Dichlorobiphenyl-4,4'-diyl Diisocyanate
IUPAC Name
2-chloro-4-(3-chloro-4-isocyanatophenyl)-1-isocyanatobenzene
SMILES
C1=CC(=C(C=C1C2=CC(=C(C=C2)N=C=O)Cl)Cl)N=C=O
InChI
InChI=1S/C14H6Cl2N2O2/c15-11-5-9(1-3-13(11)17-7-19)10-2-4-14(18-8-20)12(16)6-10/h1-6H
InChI Key
JITXMLLVGWGFGV-UHFFFAOYSA-N
Melting Point
168 °C
Purity
>95.0%(T)
Appearance
White to Light yellow powder to crystal
Storage
0-10°C
Safety Information
Hazards
H301+H331:
Toxic if swallowed.
Toxic if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
Toxic if swallowed.
Toxic if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P304+P340+P311:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician.
P403+P233:
Store in a well ventilated place.
Keep container tightly closed.
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P304+P340+P311:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician.
P403+P233:
Store in a well ventilated place.
Keep container tightly closed.
Computed Properties
XLogP3
6.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
303.9806328 g/mol
Monoisotopic Mass
303.9806328 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
393
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113088184-A | High temperature resistant powder coating composition and article | 2021-03-17 |
| WO-2021153446-A1 | Polyurethane-based composite material production method, polyurethane-based composite material, and material for dental cutting | 2020-01-28 |
| US-2021179800-A1 | Dispensable polyimide aerogel prepolymer, method of making the same, method of using the same, and substrate comprising patterned polyimide aerogel | 2019-12-12 |
| WO-2021101606-A1 | Compositions for sunscreen compounds and methods thereof | 2019-11-18 |
| KR-102355447-B1 | A method of preparing a biodegrading microcapsule | 2019-11-05 |
| US-2020262936-A1 | Charge-bearing cyclodextrin polymeric materials and methods of making and using same | 2019-02-14 |
| WO-2020168104-A1 | Charge-bearing cyclodextrin polymeric materials and methods of making and using same | 2019-02-14 |
| CA-3128516-A1 | Charge-bearing cyclodextrin polymeric materials and methods of making and using same | 2019-02-14 |
| US-11001645-B2 | Charge-bearing cyclodextrin polymeric materials and methods of making and using same | 2019-02-14 |
| US-11155646-B2 | Charge-bearing cyclodextrin polymeric materials and methods of making and using same | 2019-02-14 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 4652 | 1976-03-01 | Localised occurrence of N-nitrosopyrrolidine in fried bacon | Journal of the science of food and agriculture |
