3-Chloro-4-methylphenyl isocyanate
-
3-Chloro-4-methylphenyl isocyanate
structure -
-
CAS No:
28479-22-3
-
Formula:
C8H6ClNO
-
Chemical Name:
3-Chloro-4-methylphenyl isocyanate
-
Synonyms:
Benzene,2-chloro-4-isocyanato-1-methyl-;Isocyanic acid,3-chloro-p-tolyl ester;2-Chloro-4-isocyanato-1-methylbenzene;3-Chloro-4-methylphenyl isocyanate;3-Chloro-p-tolyl isocyanate;3-Chloro-4-tolyl isocyanate;1-Chloro-5-isocyanato-2-methylbenzene;p-Methyl-m-chlorophenyl isocyanate
- Categories:
-
CAS No:
Description
Chloromethyl phenyl isocyanate is a colorless to yellow liquid or beige, low-melting solid. Acrid odor.
3-chloro-4-methylphenyl isocyanate appears as a colorless liquid with an acrid odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
3-chloro-4-methylphenyl isocyanate appears as a colorless liquid with an acrid odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
3-Chloro-4-methylphenyl isocyanate Basic Attributes
167.59
167.59
2690771
249-050-7
2236
DTXSID5067390
2929109000
Characteristics
29.4
3.76
Colorless to yellow Liquid or Low Melting Solid
1.2±0.1 g/cm3
20-24℃
107 °C3 mm Hg(lit.)
229 °F
1.544
2-8°C
0.0279mmHg at 25°C
Flammable; burning produces toxic chloride and nitrogen oxide gas
Flammable. It decomposes in water. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff.
Isocyanates and Isothiocyanates
Water-Reactive
Isocyanates and thioisocyanates, such as 3-CHLORO-4-METHYLPHENYL ISOCYANATE, 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)].
Safety Information
II
6.1
UN 2206 6.1/PG 3
1
20/21/22-36/37/38-42
23-26-36/37-45
Xn
Treasury is ventilated, low temperature and dry; stored and transported separately from oxidants, acids and food
P261-P280-P305 + P351 + P338-P342 + P311
H302-H312-H315-H319-H332-H334-H335
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: Combustible material: may burn but does not ignite readily. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water. (ERG, 2016)|Flammable - 2nd degree
|Danger|H302 (84.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: Note: Most foams will react with the material and release corrosive/toxic gases. SMALL FIRE: CO2, dry chemical, dry sand, alcohol-resistant foam. LARGE FIRE: Water spray, fog or alcohol-resistant foam. FOR CHLOROSILANES, DO NOT USE WATER; use AFFF alcohol-resistant medium-expansion foam. Move containers from fire area if you can do it without risk. Use water spray or fog; do not use straight streams. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. (ERG, 2016)
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. A vapor-suppressing foam may be used to reduce vapors. FOR CHLOROSILANES, use AFFF alcohol-resistant medium-expansion foam to reduce vapors. DO NOT GET WATER on spilled substance or inside containers. Use water spray to reduce vapors or divert vapor cloud drift. Avoid allowing water runoff to contact spilled material. Prevent entry into waterways, sewers, basements or confined areas. SMALL SPILL: Cover with DRY earth, DRY sand or other non-combustible material followed with plastic sheet to minimize spreading or contact with rain. Use clean, non-sparking tools to collect material and place it into loosely covered plastic containers for later disposal. (ERG, 2016)
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. (ERG, 2016)
Drug Information
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Contact with molten substance may cause severe burns to skin and eyes. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)
Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim calm and warm. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. (ERG, 2016)
3-Chloro-4-methylphenyl isocyanate Use and Manufacturing
The preparation method is to add chlorobenzene into the reaction kettle, pass in a certain amount of phosgene under cooling, and then drop the chlorobenzene solution of 3-chloro-4-methylaniline into the reaction kettle. After the addition, continue. Stir for a certain period of time, then move the materials into the hot reaction kettle, continue to pass in phosgene, and slowly heat up. At this time, a large amount of hydrogen chloride and phosgene escape. After condensation, the tail gas is absorbed by chlorobenzene and enters the tail gas treatment system. The phosgene reaction is continued until the material is a transparent liquid. The reaction is completed and nitrogen is introduced to drive off the hydrogen chloride in the material. And the remaining amount of phosgene, until it reaches the end when there is no phosgene and only a trace of hydrogen chloride exists. Then move the material to the desolventizing kettle, and desolventize the finished product.
3-chloro-4-methylphenyl isocyanate is an intermediate of the herbicide chlormeron.
Benzene, 2-chloro-4-isocyanato-1-methyl-: ACTIVE
Fire Hazards -> Flammable - 2nd degree
Computed Properties
Molecular Weight:167.59
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:167.0137915
Monoisotopic Mass:167.0137915
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
2 4-DIBROMO-6-FLUOROPHENYL ISOCYANATE
302912-27-2
-
3-chloro-4-methylphenyl 2-furoate
914453-08-0
-
5-Chloro-2-thienyl isocyanate
76537-13-8
-
4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE Formula
77159-76-3
-
2,6-DIBROMO-4-ISOPROPYLPHENYL ISOCYANATE Formula
306935-84-2
-
Ethyl isocyanate Formula
109-90-0
-
4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE Structure
186589-12-8
-
2,6-DIFLUOROPHENYL ISOCYANATE Structure
65295-69-4
-
What is 5-BROMO-2-METHOXYPHENETHYL ISOCYANATE
480439-04-1
-
What is 2-Toluenesulfonyl isocyanate
32324-19-9
3-Chloro-4-methylphenyl isocyanate
SDSRequest for Quotation