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benzene-1,4-dicarbonyl chloride
Dangerous GoodsCAS number：100-20-9 molecular formula：C8H4Cl2O2
overview
Specs
| Chinese alias | 1,4-苯二碳酰二氯;对酞酰氯 | ||
| English alias | TPC | Terephthaloyl chloride, >=99%, flakes | Terephthalic dichloride | Terephthalic acid dichloride | p-Phthalyl dichloride | Terephthaloyl chloride | Q-201791 | DTXCID506653 | HSDB 5332 | Q7702072 | SCHEMBL68148 | CAS-100-20-9 | terephthalic chloride | | ||
| CAS number | 100-20-9 | molecular formula | C8H4Cl2O2 |
| molecular weight | 203.02 | Exact mass | ≥99% |
| PSA | 34.1 | logp | 4 |
numbering system
| CAS | 100-20-9 |
| UNII | G247CO9608 |
| Wikidata | Q7702072 |
| ChEMBL ID | CHEMBL1893301 |
| Wikipedia | Terephthaloyl_chloride |
| NSC Number | NSC Number: NSC41885 |
| ICSC Number | 0331 |
| PubChem CID | 7488 |
| Deprecated CAS | 188665-55-6 |
| Nikkaji Number | J4.979D |
| DSSTox Substance ID | DTXSID7026653 |
| European Community (EC) Number | 202-829-5 |
| PubChem Reference Collection SID | 505411653 |
| MEP ID | _25Q1B3AQ4 |
physicochemical properties
| LogP | 0.88 (calculated) |
| XLogP3 | 4 |
| Density | 1.32 g/cm³ |
| Color/Form | COLORLESS NEEDLES |
| Complexity | 173 |
| Exact Mass | 201.9588348 |
| Solubility | Solubility in water: reaction |
| Flash Point | 180 °C |
| Boiling Point | 266 °C @760 [mm Hg] |
| Formal Charge | 0 |
| Melting Point | 79.5-84 °C |
| Vapor Pressure | Vapor pressure, Pa at 20 °C: 320 |
| Chemical Classes | Toxic Gases & Vapors -> Acid Halides |
| Heavy Atom Count | 12 |
| Molecular Weight | 203.02 |
| Monoisotopic Mass | 201.9588348 |
| Isotope Atom Count | 0 |
| Physical Description | WHITE POWDER OR COLOURLESS NEEDLES WITH PUNGENT ODOUR. |
| Rotatable Bond Count | 2 |
| Food Contact Substances | FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Other Experimental Properties | DECOMPOSES IN WATER AND ALCOHOL |
| Topological Polar Surface Area | 34.1 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Fire Hazards：
Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.
Safe Storage：
Separated from strong oxidants. Dry. Well closed. Do NOT store or transport in containers made from metal.
Fire Fighting：
Use dry sand, powder, carbon dioxide. NO hydrous agents.
Toxicity Data：
LC50 (rat) = 700 mg/m3/4h
Eye Prevention：
Wear safety goggles or eye protection in combination with breathing protection.
Adverse Effects：
Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Exposure Routes：
Serious by all routes of exposure.
Fire Prevention：
NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
Hazards Summary：
A reproductive effector; Causes asphyxiation by upper airway obstruction after lethal-dose inhalation studies of mice; [RTECS] Dust/air mixture may be explosive; Reacts with water producing hydrogen chloride; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause upper airway edema and pulmonary edema; [ICSC] A skin irritant; Reacts with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; A lachrymator; Inhalation may cause chemical pneumonitis; Effects in high-dose animal studies include lacrimation, changes in renal tubules and other changes to the brain; [MSDSonline]
Inhalation Risk：
A harmful concentration of airborne particles can be reached quickly when dispersed.
Skin Prevention：
Protective clothing. Protective gloves.
Physical Dangers：
Dust explosion possible if in powder or granular form, mixed with air.
Spillage Disposal：
Personal protection: chemical protection suit and particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered plastic containers. Carefully collect remainder. Then store and dispose of according to local regulations.
First Aid Measures：
Ingestion First Aid: Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention .
Signs and Symptoms：
Ingestion Exposure: Abdominal pain. Nausea. Vomiting. Diarrhoea. Shock or collapse.
Exposure Prevention：
PREVENT DISPERSION OF DUST!
Ingestion Prevention：
Do not eat, drink, or smoke during work.
Inhalation Prevention：
Use local exhaust or breathing protection.
Regulatory Information：
New Zealand EPA Inventory of Chemical Status: Terephthaloyl dichloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories：
Specific target organ toxicity - Single exposure - Category 2 (systemic toxicity)
Effects of Short Term Exposure：
The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Exposure could cause asphyxiation due to swelling in the throat. Inhalation may cause lung oedema.
Protective Action Criteria (PAC)：
PAC-3: 31 [mg/m3]
Skin, Eye, and Respiratory Irritations：
SKIN IRRITANT.
Production methods and uses
purpose
Uses：
CROSS-LINKING AGENT FOR POLYURETHANES AND POLYSULFIDES
Consumer Uses：
Not Known or Reasonably Ascertainable
Industry Uses：
Monomers
General Manufacturing Information：
Industry Processing Sectors: Plastics Material and Resin Manufacturing
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-20-9 | p-phthaloyl chloride
