| Identification | More | [Name]
Isocyanic acid 3,4-dichlorophenyl ester | [CAS]
102-36-3 | [Synonyms]
1,2-dichloro-4-phenyl isocyanate
3,4-DICHLOROPHENYLCARBIMIDE
3,4-DICHLOROPHENYL ISOCYANATE
DICHLOROPHENYL ISOCYANATES
ISOCYANIC ACID 3,4-DICHLOROPHENYL ESTER
Isocyanicacid-3，4-dichtorophenyl ester
1,2-dichloro-4-isocyanato-benzen
1,2-Dichloro-4-isocyanatobenzene
3,4-Dichlorfenylisokyanat
3,4-Dichlorphenylisocyanate
benzene,1,2-dichloro-4-isocyanato
benzene,1,2-dichloro-4-isocyanato-
benzene,1,2-dichloro-4isocyanato-
dcpi
dichlorophenylisocyanate(non-specificname)
Phenylisocyanate,dichloro-
3,4-Dichlorophenyl #niso-cyanate
3,4-DichloroPhenylIsocynate
Dichloroisocyanatobenzene
3,4-DCPI | [EINECS(EC#)]
203-026-2 | [Molecular Formula]
C7H3Cl2NO | [MDL Number]
MFCD00002017 | [Molecular Weight]
188.01 | [MOL File]
102-36-3.mol |
| Chemical Properties | Back 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 ]
41-43 °C(lit.) | [Boiling point ]
118-120 °C18 mm Hg(lit.) | [density ]
1.3256 (rough estimate) | [vapor pressure ]
0.2 mm Hg ( 20 °C)
| [refractive index ]
1.5750 (estimate) | [Fp ]
>230 °F
| [form ]
powder to lump | [color ]
White to Almost white | [Odor]
wh. to yel. cryst. solid with irritating odor | [Water Solubility ]
decomposes | [Sensitive ]
Moisture Sensitive | [BRN ]
608325 | [Henry's Law Constant]
7.7×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010) | [InChI]
1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H | [InChIKey]
MFUVCHZWGSJKEQ-UHFFFAOYSA-N | [SMILES]
Clc1ccc(cc1Cl)N=C=O | [LogP]
3.88 | [CAS DataBase Reference]
102-36-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzene, 1,2-dichloro-4-isocyanato-(102-36-3) | [EPA Substance Registry System]
102-36-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R23:Toxic by inhalation.
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 .
S36/37/39: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) . | [RIDADR ]
UN 2250 6.1/PG 2
| [WGK Germany ]
2
| [RTECS ]
NQ8760000
| [F ]
1-8-10-19 | [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. 2 Inhalation
Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Resp. Sens. 1
Skin Sens. 1A
STOT SE 3 | [Hazardous Substances Data]
102-36-3(Hazardous Substances Data) |
| Hazard Information | Back Directory | [General Description]
White to yellow solid. Used as a chemical intermediate and in organic synthesis. | [Reactivity Profile]
Isocyanates and thioisocyanates, such as ISOCYANIC ACID, 3,4-DICHLOROPHENYL ESTER, 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. | [Health Hazard]
Strong irritant to tissue, especially eyes and mucous membranes | [Potential Exposure]
Those materials used as chemical
intermediates | [Fire Hazard]
Inhalation of dust is poisonous; fire may produce irritating or poisonous gases. | [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. | [Description]
The dichlorophenyl isocyanates are combustible, crystalline (sugar- or sand-like) solids. In general, theyare white to yellow in color, but the 1,4-dichloro-2-phenylisomer is white to light green. Their flash points are generally .113℃ but that of the 1,3-dichloro-2-phenyl isomer isreported as 77℃. These chemicals are insoluble in water,and some may be reactive. 1,2-dichloro-4-isomer (CAS102-36-3) is the isomer of regulatory focus: Freezing/Melting point=42-43℃. Molecular weight=188.01;Boiling point=243℃; Freezing/Melting point=42℃.Reacts with water. | [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 low melting solid | [Waste Disposal]
Combustion in an incinerator
equipped with afterburner and fume scrubber | [Uses]
3,4-Dichlorophenyl isocyanate was used in the synthesis of 1,5-disubstituted-2-thiobiuret derivatives via reaction with thioureido-containing aromatic/heterocyclic sulfonamides. | [Uses]
Methyl-labeled diuron was prepared by the reaction of 3,4-dichlorophenyl- isocyanate with C '"labeled dimethylamine.Substituted urea derivatives were prepared by reacting 3,4-dichlorophenyl isocyanate with amino acids, dipeptides, histamine. The R- and S-isomers and RS-racemate of MBPU were synthesized by allowing equimolar quantities of 3,4-dichlorophenyl- isocyanate | [Flammability and Explosibility]
Notclassified | [storage]
Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Prior to working with these chemicals you should be trained on its proper handling and storage. Store to avoid contact with alcohols, strong bases(such as potassium hydroxide and sodium hydroxide), carboxylic acids, amines, and metals since violent reactionsoccur. Store in tightly closed containers in a dry, cool, wellventilated area away from moisture and temperatures above40℃. |
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