2,3,5-Trichlorophenol

HCID 13619CAS 933-78-8

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

2,3,5-TRICHLOROPHENOL933-78-8Phenol, 2,3,5-trichloro-DTXSID00262086T7DUC2C8BDTXCID206208RefChem:441827213-272-2MFCD000021642,3,5-trichlorphenol2,3,5-Trichlorophenol 10 microg/mL in IsooctaneCCRIS 6109
Show more names
Phenol, 2,3,5-trichloro-; 2,3,5-TrichlorophenolEINECS 213-272-2UNII-6T7DUC2C8BMLS002415681SCHEMBL591469SCHEMBL5961682CHEMBL1569358SCHEMBL29375263

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

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP · 2 items

3.8

3.84

Solubility · 2 items

less than 1 mg/mL at 61 °F (NTP, 1992)

Solubility in water: poor

Boiling Point · 2 items

478 to 480 °F at 760 mmHg (NTP, 1992)

248-253 °C

Melting Point · 2 items

135 to 138 °F (NTP, 1992)

62 °C

Vapor DensityRelative vapor density (air = 1): 6.8

Safety & regulation

GHS classification

GHS Classification · 5 items

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 · 2 items

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.)

DOT LabelPoison
Fire Hazards · 2 items

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 · 1 item

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.

Reactive GroupPhenols and Cresols
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: III

Safety & protection

Fire Fighting · 2 items

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 · 4 items

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 · 1 item

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.

Safe StorageStore in an area without drain or sewer access. Provision to contain effluent from fire extinguishing. Separated from strong oxidants and food and feedstuffs.
Nonfire Spill Response · 1 item

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 · 1 item

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

Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol, through the skin and by ingestion.
ICSC Environmental Data · 1 item

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

Metabolism/Metabolites2,3,5-trichlorophenol is a known human metabolite of 1,2,4-trichlorobenzene.

Related reactions

3 records

Linked notes

Loading…