Benzene-1,3-diisocyanate supplier

Name
1,3-PHENYLENE DIISOCYANATE
EINECS
CAS No. 123-61-5
Article Data18
CAS DataBase
Density 1.17g/cm³
Solubility Soluble in hot benzene. Hydrolyzes in water.
Melting Point 49-51 °C(lit.)
Formula C8H4 N2 O2
Boiling Point 121 °C25 mm Hg(lit.)
Molecular Weight 160.132
Flash Point >230 °F
Transport Information
Appearance White to off-white fused solid
Safety A sensitizer at very low concentrations. Deadly poison by intravenous route. When heated to decomposition it emits toxic fumes of NO_x and CN⁻. See also ESTERS.
Risk Codes 20/21/22-36/37/38-42
Molecular Structure
Hazard Symbols
Synonyms Isocyanicacid, m-phenylene ester (6CI,7CI,8CI); 1,3-Diisocyanatobenzene; 1,3-Phenylenediisocyanate; Benzene 1,3-diisocyanate; NSC 511721; Nacconate 400; m-Phenylenediisocyanate; m-Phenylene isocyanate
PSA 58.86000
LogP 1.62120

Synthetic route

: 99-65-0
meta-dinitrobenzene

: 201230-82-2
carbon monoxide

A: 3320-87-4
isocyanic acid (3-nitro-phenyl) ester

B: 123-61-5
1,3-Phenylene diisocyanate

Conditions

Conditions	Yield
With MoO3+Fe2O3 on Al2O3; trimethyleneglycol In 1,2-dichloro-benzene at 210℃; under 228000 Torr;	A 8% B 75%

...Expand

: 3027-36-9
isophthaloyl diazide

: 123-61-5
1,3-Phenylene diisocyanate

Conditions

Conditions	Yield
With benzene
In toluene at 80℃; for 2h; Inert atmosphere;
In toluene for 2h; Reflux;

: 7450-61-5
ethyl N-(3-ethoxycarbonylaminophenyl)carbamate

: 123-61-5
1,3-Phenylene diisocyanate

Conditions

Conditions	Yield
With phosphorus pentoxide bei der Destillation;

: 75-44-5
phosgene

: 108-45-2
m-phenylenediamine

: 123-61-5
1,3-Phenylene diisocyanate

: 3027-36-9
isophthaloyl diazide

: 71-43-2
benzene

: 123-61-5
1,3-Phenylene diisocyanate

: 4930-04-5
dimethyl N,N'-(1,3-phenylene)dicarbamate

: 123-61-5
1,3-Phenylene diisocyanate

Conditions

Conditions	Yield
With 2-chloro-1,3,2-benzodioxaborole; triethylamine In toluene 1.) reflux, 5 min, 2.) 0.5 h;	98 % Chromat.

: 67-56-1
methanol

: 123-61-5
1,3-Phenylene diisocyanate

: 4930-04-5
dimethyl N,N'-(1,3-phenylene)dicarbamate

Conditions

Conditions	Yield
for 4h; Heating;	100%

: 123-61-5
1,3-Phenylene diisocyanate

: 71-36-3
butan-1-ol

: 130872-01-4
(3-Butoxycarbonylamino-phenyl)-carbamic acid butyl ester

Conditions

Conditions	Yield
for 4h; Heating;	100%

: 67-56-1
methanol

: 123-61-5
1,3-Phenylene diisocyanate

: C10H12N2O4

Conditions

Conditions	Yield
for 36h; Heating;	98%

: 123-61-5
1,3-Phenylene diisocyanate

: 3-Amino-3-((3aS,6R,6aS)-6-methoxy-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-propionic acid ethyl ester

: 3-[3-(3-{3-[2-Ethoxycarbonyl-1-((3aS,6R,6aS)-6-methoxy-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-ethyl]-ureido}-phenyl)-ureido]-3-((3aS,6R,6aS)-6-methoxy-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-propionic acid ethyl ester

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 12h;	97%

: 123-61-5
1,3-Phenylene diisocyanate

: 3-Amino-3-((3aS,6R,6aS)-6-benzyloxy-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-propionic acid ethyl ester

: 3-((3aS,6R,6aS)-6-Benzyloxy-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-3-[3-(3-{3-[1-((3aS,6R,6aS)-6-benzyloxy-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-2-ethoxycarbonyl-ethyl]-ureido}-phenyl)-ureido]-propionic acid ethyl ester

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 12h;	95%

: 255062-86-3
2-octyloxybenzoic acid hydrazide

: 123-61-5
1,3-Phenylene diisocyanate

: 1403580-48-2
C38H52N6O6

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 8h;	92%

: 14415-44-2
6-aminocoumarin

: 123-61-5
1,3-Phenylene diisocyanate

: 1,1'-(1,3-phenylene)bis(3-(2-oxo-2H-chromen-6-yl)urea)

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h;	70%

: 10065-72-2
L-Alanine methyl ester

: 123-61-5
1,3-Phenylene diisocyanate

: 1400923-44-5
C16H22N4O6

Conditions

Conditions	Yield
In dichloromethane for 10h;	70%

: 13257-67-5
2-amino-2-methylpropionic acid methyl ester

: 123-61-5
1,3-Phenylene diisocyanate

: 1400923-45-6
C18H26N4O6

Conditions

Conditions	Yield
In dichloromethane for 10h;	70%

: 1520-21-4
4-vinyl benzylamine

: 123-61-5
1,3-Phenylene diisocyanate

: m-phenylenedi(ureidostyrene)

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃;	68%

: 47357-20-0
H-Leu-Trp-OMe

: 123-61-5
1,3-Phenylene diisocyanate

: C44H54N8O8

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 12h;	65.5%

: 978-86-9
4-tritylphenol

: 169179-44-6
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..].

: 123-61-5
1,3-Phenylene diisocyanate

A: C64H72N4O4*C58H44N2O4

B: [3-(4-Trityl-phenoxycarbonylamino)-phenyl]-carbamic acid 4-trityl-phenyl ester

Conditions

Conditions	Yield
With triethylamine In dichloromethane Heating;	A 24% B 64%

...Expand

: 5588-84-1
vanadium(V) oxytriisopropoxide

: 123-61-5
1,3-Phenylene diisocyanate

: NC6H4N(4-)*2V(5+)*6OCH(CH3)2(1-)=(NC6H4N)(V(OCH(CH3)2)3)2

Conditions

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%

: 123-30-8
4-amino-phenol

: 123-61-5
1,3-Phenylene diisocyanate

: 1,3-phenylene-bis(3-(4′-hydroxyphenyl)urea)

Conditions

Conditions	Yield
In chloroform at 20℃; for 1h;	58%

: 1010433-29-0
2-phenylamino-3-(triphenylphosphoranylidene-amino)pyrazino[2',3':4,5]-thieno[3,2-d]pyrimidin-4(3H)-one

: 123-61-5
1,3-Phenylene diisocyanate

: 1010433-63-2
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

Conditions	Yield
With triethylamine In tetrahydrofuran at 150℃; for 3h; aza-Wittig reaction;	50%

: 591-27-5
m-Hydroxyaniline

: 123-61-5
1,3-Phenylene diisocyanate

: 1,3-phenylene-bis(3-(3′-hydroxyphenyl)urea)

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 2h;	50%

: 123-61-5
1,3-Phenylene diisocyanate

: 54793-76-9
L-tryptophan-L-leucine methylester

: C44H54N8O8

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 12h; Cooling with ice;	47.7%

: 873838-62-1
N3,N6-diisobutylpyridazine-4,6-diamine

: 123-61-5
1,3-Phenylene diisocyanate

: C40H52N12O4

Conditions

Conditions	Yield
In chloroform at 50℃; for 24h;	46%

: 616-91-1
N-acetylcystein

: 123-61-5
1,3-Phenylene diisocyanate

: 2-acetylamino-3-[3-(2-acetylamino-2-carboxyethylsulfanylcarbonylamino)phenylcarbamoylsulfanyl]propionic acid

Conditions

Conditions	Yield
With sodium hydrogencarbonate In tetrahydrofuran at 20℃; for 0.25h;	33%

: 1372625-07-4
2-(4-methoxyphenoxy)-1-triisopropylsilylacetylene

: 123-61-5
1,3-Phenylene diisocyanate

: 1,3-bis(2-(Z)-triisopropylsilylmethylidene-6-methoxy-2H-1,4-benzoxazin-3(4H)-on-4-yl)benzene

Conditions

Conditions	Yield
With zinc diacetate; palladium diacetate; tricyclohexylphosphine In toluene at 120℃; for 18h; Inert atmosphere;	31%

: 4975-73-9
N,N'-dicyclohexyl-4-morpholine carboxamidine

: 123-61-5
1,3-Phenylene diisocyanate

: 117688-74-1
1-Cyclohexyl-3-[3-(3-cyclohexyl-3-{[(E)-cyclohexylimino]-morpholin-4-yl-methyl}-ureido)-phenyl]-1-{[(E)-cyclohexylimino]-morpholin-4-yl-methyl}-urea

Conditions

Conditions	Yield
In dichloromethane Ambient temperature;	21%

Benzene-1,3-diisocyanate Chemical Properties

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

Benzene-1,3-diisocyanate Toxicity Data With Reference

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 .

Benzene-1,3-diisocyanate Consensus Reports

Reported in EPA TSCA Inventory. Cyanide and its compounds are on the Community Right-To-Know List.

Benzene-1,3-diisocyanate Safety Profile

A sensitizer at very low concentrations. Deadly poison by intravenous route. When heated to decomposition it emits toxic fumes of NO_x and CN⁻. See also ESTERS.
Hazard Codes: Harmful 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.

Benzene-1,3-diisocyanate Standards and Recommendations

NIOSH REL: TWA (Diisocyanates) 0.005 ppm; CL 0.02 ppm/10M

Product Name

1,3-PHENYLENE DIISOCYANATE

Synthetic route

Benzene-1,3-diisocyanate Chemical Properties

Benzene-1,3-diisocyanate Toxicity Data With Reference

Benzene-1,3-diisocyanate Consensus Reports

Benzene-1,3-diisocyanate Safety Profile

Benzene-1,3-diisocyanate Standards and Recommendations

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