ChemicalBook--->CAS DataBase List--->123-61-5

123-61-5

123-61-5 Structure

123-61-5 Structure
IdentificationMore
[Name]

1,3-PHENYLENE DIISOCYANATE
[CAS]

123-61-5
[Synonyms]

1,3-PHENYLENE DIISOCYANATE
BENZENE 1,3-DIISOCYANATE
M-PHENYLENE DIISOCYANATE
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
m-Phenylene isocyanate
m-phenyleneisocyanate
Nacconate 400
nacconate400
1,3-Phenylenediisocyanate 98%
1,3-PHENYLENE DIISOCYANATE 97+%
(1,3-Phenylene)bisisocyanate
[EINECS(EC#)]

204-637-7
[Molecular Formula]

C8H4N2O2
[MDL Number]

MFCD00002018
[Molecular Weight]

160.13
[MOL File]

123-61-5.mol
Chemical PropertiesBack Directory
[Appearance]

White to off-white fused solid
[Melting point ]

49-51 °C(lit.)
[Boiling point ]

121 °C25 mm Hg(lit.)
[density ]

1.3848 (rough estimate)
[refractive index ]

1.4900 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator (+4°C)
[form ]

powder to lump
[color ]

Crystals
[Water Solubility ]

Soluble in hot benzene. Hydrolyzes in water.
[Sensitive ]

Moisture Sensitive
[BRN ]

776957
[InChI]

1S/C8H4N2O2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H
[InChIKey]

VGHSXKTVMPXHNG-UHFFFAOYSA-N
[SMILES]

O=C=Nc1cccc(c1)N=C=O
[CAS DataBase Reference]

123-61-5(CAS DataBase Reference)
[EPA Substance Registry System]

1,3-Phenylene diisocyanate (123-61-5)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
[Safety Statements ]

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 .
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

NR0150000
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29291000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
[Safety Profile]

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.
[Toxicity]

LD50 ivn-mus: 5600 mg/kg CSLNX* NX#07804
Hazard InformationBack Directory
[Reactivity Profile]

Isocyanates and thioisocyanates, such as 1,3-PHENYLENE DIISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)].
[Chemical Properties]

White to off-white fused solid
[Uses]

1,??3-??Phenylene Diisocyanate is a reagent used in the synthesis of polyurethane materials and other thermoplastics.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-PHENYLENE DIISOCYANATE(123-61-5)IR
1,3-PHENYLENE DIISOCYANATE(123-61-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

m-Phenylene diisocyanate, 96%(123-61-5)
[Alfa Aesar]

1,3-Phenylene diisocyanate, 96%(123-61-5)
[Sigma Aldrich]

123-61-5(sigmaaldrich)
[TCI AMERICA]

1,3-Phenylene Diisocyanate,>98.0%(GC)(123-61-5)
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