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Name	Benzene-1,3-diisocyanate	EINECS	N/A
CAS No.	123-61-5	Density	1.17g/cm³
PSA	58.86000	LogP	1.62120
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	N/A	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	Article Data	18

Benzene-1,3-diisocyanate 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%

: 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%

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

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