meta-dinitrobenzene
carbon monoxide
A
isocyanic acid (3-nitro-phenyl) ester
B
1,3-Phenylene diisocyanate
Conditions | Yield |
---|---|
With MoO3+Fe2O3 on Al2O3; trimethyleneglycol In 1,2-dichloro-benzene at 210℃; under 228000 Torr; | A 8% B 75% |
Conditions | Yield |
---|---|
With benzene | |
In toluene at 80℃; for 2h; Inert atmosphere; | |
In toluene for 2h; Reflux; |
Conditions | Yield |
---|---|
With phosphorus pentoxide bei der Destillation; |
Conditions | Yield |
---|---|
With 2-chloro-1,3,2-benzodioxaborole; triethylamine In toluene 1.) reflux, 5 min, 2.) 0.5 h; | 98 % Chromat. |
methanol
1,3-Phenylene diisocyanate
dimethyl N,N'-(1,3-phenylene)dicarbamate
Conditions | Yield |
---|---|
for 4h; Heating; | 100% |
1,3-Phenylene diisocyanate
butan-1-ol
(3-Butoxycarbonylamino-phenyl)-carbamic acid butyl ester
Conditions | Yield |
---|---|
for 4h; Heating; | 100% |
Conditions | Yield |
---|---|
for 36h; Heating; | 98% |
1,3-Phenylene diisocyanate
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 12h; | 97% |
1,3-Phenylene diisocyanate
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 12h; | 95% |
2-octyloxybenzoic acid hydrazide
1,3-Phenylene diisocyanate
C38H52N6O6
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 8h; | 92% |
6-aminocoumarin
1,3-Phenylene diisocyanate
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 24h; | 70% |
Conditions | Yield |
---|---|
In dichloromethane for 10h; | 70% |
2-amino-2-methylpropionic acid methyl ester
1,3-Phenylene diisocyanate
C18H26N4O6
Conditions | Yield |
---|---|
In dichloromethane for 10h; | 70% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; | 68% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane for 12h; | 65.5% |
4-tritylphenol
11'-(tert-butyl)-5',17',23',35',38',40'43',45'-octamethyldispiro[cyclohexane-1,2'-[7,15,25,33]tetraazaheptacyclo[32.2.2.2.2(3,6).2(16,19).2(21,24).1(3,13).1(27,31)]hexatetraconta[3,5,9,11,13(44),16,18,21,23,27,29,31(39),34,36,37,40,42,45]octadecaene..].
1,3-Phenylene diisocyanate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane Heating; | A 24% B 64% |
Conditions | Yield |
---|---|
In neat (no solvent) under N2; mixt. of V compd. and diisocyanate stirred at 140°C for3 h; cooled to room temp.; CH2Cl2 added; filtered; filtrate evapd. under reduced pressure; recrystd. from hexane or CH2Cl2 at -30°C; | 60% |
Conditions | Yield |
---|---|
In chloroform at 20℃; for 1h; | 58% |
2-phenylamino-3-(triphenylphosphoranylidene-amino)pyrazino[2',3':4,5]-thieno[3,2-d]pyrimidin-4(3H)-one
1,3-Phenylene diisocyanate
N,N'-bis(10-oxo-3-phenylpyrazino[2',3':4,5]thieno[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-2-yl)benzene-1,3-diamine
Conditions | Yield |
---|---|
With triethylamine In tetrahydrofuran at 150℃; for 3h; aza-Wittig reaction; | 50% |
Conditions | Yield |
---|---|
In tetrahydrofuran at 20℃; for 2h; | 50% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane for 12h; Cooling with ice; | 47.7% |
Conditions | Yield |
---|---|
In chloroform at 50℃; for 24h; | 46% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In tetrahydrofuran at 20℃; for 0.25h; | 33% |
2-(4-methoxyphenoxy)-1-triisopropylsilylacetylene
1,3-Phenylene diisocyanate
Conditions | Yield |
---|---|
With zinc diacetate; palladium diacetate; tricyclohexylphosphine In toluene at 120℃; for 18h; Inert atmosphere; | 31% |
N,N'-dicyclohexyl-4-morpholine carboxamidine
1,3-Phenylene diisocyanate
1-Cyclohexyl-3-[3-(3-cyclohexyl-3-{[(E)-cyclohexylimino]-morpholin-4-yl-methyl}-ureido)-phenyl]-1-{[(E)-cyclohexylimino]-morpholin-4-yl-methyl}-urea
Conditions | Yield |
---|---|
In dichloromethane Ambient temperature; | 21% |
Chemical Name: 1,3-Phenylene diisocyanate
IUPAC NAME: 1,3-Diisocyanatobenzene
CAS No.: 123-61-5
EINECS: 204-637-7
Molecular Formula: C8H4N2O2
Molecular Weight: 160.13 g/mol
Melting Point: 49-51 °C(lit.)
Density: 1.17 g/cm3
Flash Point: 99.1 °C
Boiling Point: 226.8 °C at 760 mmHg
Storage temp.: Refrigerator (+4°C)
Sensitive: Moisture Sensitive
Following is the structure of Benzene-1,3-diisocyanate (CAS No.123-61-5):
Product Categories about Benzene-1,3-diisocyanate (CAS No.123-61-5) are Isocyanate Monomers ; Monomers ; Polymer Science
The chemical synonymous of Benzene-1,3-diisocyanate (CAS No.123-61-5) are 1,3-Diisocyanato-Benzen ; 1,3-Diisocyanatobenzene ; Benzene, 1,3-Diisocyanato- ; Benzene, M-Diisocyanato- ; Benzene,1,3,-Diisocyanato- ; Benzene,1,3-Diisocyanato- ; Isocyanic Acid, M-Phenylene Ester ; Isocyanicacid,M-Phenyleneester
1. | ivn-mus LD50:5600 µg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#07804 . |
Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.
A sensitizer at very low concentrations. Deadly poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx and CN−. See also ESTERS.
Hazard Codes: Xn
Risk Statements about Benzene-1,3-diisocyanate (CAS No.123-61-5):
R42:May cause sensitization by inhalation.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements about Benzene-1,3-diisocyanate (CAS No.123-61-5):
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
Attention:
1. Storage: Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4°C/39°F.) Store under nitrogen.
2. Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
NIOSH REL: TWA (Diisocyanates) 0.005 ppm; CL 0.02 ppm/10M
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