ChemicalBook--->CAS DataBase List--->34893-92-0

34893-92-0

34893-92-0 Structure

34893-92-0 Structure
IdentificationMore
[Name]

3,5-Dichlorophenyl isocyanate
[CAS]

34893-92-0
[Synonyms]

1,3-Dichloro-5-isocyanatobenzene
3,5-DICHLOROISOCYANATOBENZENE
3,5-DICHLOROPHENYL ISOCYANATE
ISOCYANIC ACID 3,5-DICHLOROPHENYL ESTER
1,3-dichloro-5-isocyanato-benzen
Benzene, 1,3-dichloro-5-isocyanato-
3,5-Dichlorophenylisocyantae
1-Isocyanato-3,5-dichlorobenzene
[EINECS(EC#)]

252-276-9
[Molecular Formula]

C7H3Cl2NO
[MDL Number]

MFCD00013859
[Molecular Weight]

188.01
[MOL File]

34893-92-0.mol
Chemical PropertiesBack Directory
[Appearance]

The dichlorophenyl isocyanates are combustible, crystalline (sugar or sand-like) solids. In general, they are white to yellow in color, but the 1,4-dichloro-2-phenyl isomer is white to light green. Their flash points are generally .113C but that of the 1,3-dichloro-2-phenyl isomer is reported as 77C. These chemicals are insoluble in water, and some may be reactive. 1,2-dichloro-4-isomer (CAS 102-36-3) is the isomer of regulatory focus
[Melting point ]

32-34 °C (lit.)
[Boiling point ]

243 °C
[density ]

1.38 g/mL at 25 °C(lit.)
[vapor pressure ]

4.7-8.1Pa at 25℃
[refractive index ]

1.6000 (estimate)
[Fp ]

>230 °F
[storage temp. ]

-20°C Freezer
[solubility ]

decomposes
[form ]

Low Melting Solid
[color ]

White to slightly yellow
[Water Solubility ]

decomposes
[Sensitive ]

Moisture Sensitive
[BRN ]

510282
[Henry's Law Constant]

7.7×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
[InChI]

1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
[InChIKey]

XEFUJGURFLOFAN-UHFFFAOYSA-N
[SMILES]

Clc1cc(Cl)cc(c1)N=C=O
[LogP]

3.88
[CAS DataBase Reference]

34893-92-0(CAS DataBase Reference)
[NIST Chemistry Reference]

3,5-Dichlorophenyl isocyanate(34893-92-0)
[EPA Substance Registry System]

34893-92-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T,T+
[Risk Statements ]

R23/24/25:Toxic 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.
R26:Very Toxic by inhalation.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2250 6.1/PG 2
[WGK Germany ]

3
[F ]

19-21
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29291090
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 1 Inhalation
Aquatic Chronic 2
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1A
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->3,5-Dichloroaniline
[Preparation Products]

Iprodione-->COH-SR4 (Mitochondria uncoupler SR4)-->L 35-->3-(3,5-Dichlorophenyl)-1-methylhydantoin
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,5-Dichlorophenyl isocyanate(34893-92-0).msds
Hazard InformationBack Directory
[Potential Exposure]

Those materials used as chemical intermediates
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposurebegin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN2250 Dichlorophenyl isocyanates, Hazard Class: 6.1; Labels: 6.1-Poisonous materials.
[Incompatibilities]

May form explosive mixture with air. Isocyanates are highly flammable and reactive with many compounds, even with themselves. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Reaction with moist air, water or alcohols may form amines and insoluble polyureas and react exothermically, releasing toxic, corrosive or flammable gases, including carbon dioxide; and, at the same time, may generate a violent release of heat increasing theconcentration of fumes in the air. Incompatible with amines, aldehydes, alkali metals, ammonia, carboxylic acids, caprolactum, alkaline materials, glycols, ketones, mercaptans, hydrides, organotin catalysts, phenols, strong acids, strong bases, strong reducing agents such as hydrides, urethanes, and ureas. Elevated temperatures or contact with acids, bases, tertiary amines, and acylchlorides may cause explosive polymerization. Contact with metals may evolve flammable hydrogen gas. Attacks some plastics, rubber, and coatings.
[Chemical Properties]

The dichlorophenyl isocyanates are combustible, crystalline (sugar or sand-like) solids. In general, they are white to yellow in color, but the 1,4-dichloro-2-phenyl isomer is white to light green. Their flash points are generally .113C but that of the 1,3-dichloro-2-phenyl isomer is reported as 77C. These chemicals are insoluble in water, and some may be reactive. 1,2-dichloro-4-isomer (CAS 102-36-3) is the isomer of regulatory focus
[Chemical Properties]

white to slightly yellow low melting solid
[Waste Disposal]

Combustion in an incinerator equipped with afterburner and fume scrubber
[Uses]

3,5-Dichlorophenyl isocyanate is used as an intermediate for medicine and in iprodione. It is also useful for proteomic research.
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Dichlorophenyl isocyanate(34893-92-0)1HNMR
3,5-Dichlorophenyl isocyanate(34893-92-0)FT-IR
3,5-Dichlorophenyl isocyanate(34893-92-0)IR
3,5-Dichlorophenyl isocyanate(34893-92-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,5-Dichlorophenyl isocyanate, 96%(34893-92-0)
[Alfa Aesar]

3,5-Dichlorophenyl isocyanate, 97%(34893-92-0)
[Sigma Aldrich]

34893-92-0(sigmaaldrich)
[TCI AMERICA]

3,5-Dichlorophenyl Isocyanate,>97.0%(T)(34893-92-0)
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