Basic information
- Standard SMILES
Oc1cc(Cl)cc(Cl)c1Cl- InChIKey
WWGQHTJIFOQAOC-UHFFFAOYSA-N- Molecular formula
- C6H3Cl3O
- Average molar mass
- 197.4 g/mol
- Monoisotopic mass
- 195.92494776
Overview
Long colorless needles or white chalky solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 2,3,5-Trichlorophenol
- IUPAC
- 2,3,5-trichlorophenol
Names & synonyms
Show more names
Database identifiers
- CAS
933-78-8- PubChem CID
- 13619
- DTXSID
DTXSID0026208- ChEMBL
CHEMBL1569358- UNII
- 6T7DUC2C8B
- EC Number
- 213-272-2
- Nikkaji
- J1.750G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
LogP
3.8
3.84
Solubility
less than 1 mg/mL at 61 °F (NTP, 1992)
Solubility in water: poor
Boiling Point
478 to 480 °F at 760 mmHg (NTP, 1992)
248-253 °C
Melting Point
135 to 138 °F (NTP, 1992)
62 °C
Physical Description
Long colorless needles or white chalky solid. (NTP, 1992)
COLOURLESS CRYSTALS WITH CHARACTERISTIC ODOUR.
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.
Warning
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Phenol, 2,3,5-trichloro-: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound include painless blanching or erythema, vomiting, collapse, coma, profuse sweating, intense thirst, nausea, diarrhea, cyanosis, hyperactivity, stupor, blood pressure fall, hyperpnea, abdominal pain, hemolysis, convulsions and pulmonary edema followed by pneumonia. Other symptoms include irritation of the skin with redness and edema, burns, irritation of the eyes, nose and pharynx, and corneal injury. Exposure can cause irritation of the mucous membranes and respiratory tract, and severe destruction of tissue (depending on the intensity and duration of exposure). Symptoms of exposure to a related compound include softening and whitening of the skin followed by the development of painful burns, headache, dizziness, rapid and difficult breathing and weakness. Ingestion of a related compound causes severe burns and internal damage. Chronic exposure may cause digestive disturbances, nervous disorders, skin eruptions, dermatitis, liver damage and kidney damage. Skin contact may result in redness, edema and burns. Eye contact may cause irritation and corneal injury.
Chemical Dangers
Decomposes on heating and on contact with strong oxidants. This produces toxic and corrosive fumes including hydrogen chloride. Decomposes on burning. This produces toxic and corrosive fumes including hydrogen chloride. The substance is a weak acid.
Safety & protection
Fire Fighting
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Use foam, dry powder, carbon dioxide.
First Aid Measures
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
Rinse with plenty of water (remove contact lenses if easily possible).
Rinse mouth. Refer for medical attention .
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Spillage Disposal
Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.
Toxicology
ICSC Environmental Data
The substance is toxic to aquatic organisms. The substance may cause long-term effects in the aquatic environment. This substance does enter the environment under normal use. Great care, however, should be taken to avoid any additional release, for example through inappropriate disposal.
Chemistry & industry
Pharmacology
Related reactions
Linked notes
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