English Safety Data Sheet Database 中文版 MSDS

3-(Trifluoromethyl)phenyl isocyanate

CAS No. 329-01-1 | PubChem CID 9483
Section 1. Identification
Chemical Name3-(Trifluoromethyl)phenyl isocyanate CAS No.329-01-1
Synonymsalpha,alpha,alpha-trifluoro-m-tolyl isocyanate; isocyanatobenzotrifluoride Chinese Name异氰酸三氟甲苯酯
Molecular FormulaC8HF3NO Molecular Weight187.1187
UN No.2285 Data SourcePubChem (NIH/NLM)
GHS Hazard Classification
Signal Word DANGER
Pictograms GHS02 · Flammable GHS06 · Acute Toxic GHS07 · Irritant GHS08 · Health Hazard
Hazard Statements H226H302H315H317H319H330H334H335
Precautionary Statements P210P233P240P241P242P243P260P261P264P264+P265P270P271P272P280P284P301+P317P302+P352P303+P361+P353P304+P340P305+P351+P338P316P319P320P321P330P332+P317P333+P317P337+P317P342+P316P362+P364P370+P378P403P403+P233P403+P235P405P501

Section 2. Hazards Identification

H226 (94.1%): Flammable liquid and vapor [Warning Flammable liquids]

H302 (94.1%): Harmful if swallowed [Warning Acute toxicity, oral]

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H317 (86.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H319 (13.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H330 (96.1%): Fatal if inhaled [Danger Acute toxicity, inhalation]

H334 (92.2%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Section 4. First-Aid Measures

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

Refer to the "General First Aid" section. Specific First Aid: For corrosives, in case of contact, immediately flush skin or eyes with running water for at least 30 minutes. Additional flushing may be required. (ERG, 2024)

Section 5. Fire-Fighting Measures

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

Note: Most foams will react with the material and release corrosive/toxic gases. CAUTION: For Acetyl chloride (UN1717), use CO2 or dry chemical only.

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 alcohol-resistant foam. If it can be done safely, move undamaged containers away from the area around the fire. Avoid aiming straight or solid streams directly onto the product.

FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices 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 in direct contact with flames. (ERG, 2024)

Section 6. Accidental Release Measures

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

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: See ERG Table 1 - Initial Isolation and Protective Action Distances on the UN/NA 2285 datasheet.

FIRE: If tank, rail tank car or highway tank 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, 2024)

Section 7. Handling and Storage

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from 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 alcohol-resistant 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, 2024)

Section 8. Exposure Controls / Personal Protection

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer when there is NO RISK OF FIRE. Structural firefighters' protective clothing provides thermal protection but only limited chemical protection. (ERG, 2024)

Section 9. Physical and Chemical Properties

Isocyanobenzotrifluoride appears as a light colored liquid. May severely irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption.

Dielectric constant

Optical coefficient

Refractive index

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Section 10. Stability and Reactivity

No rapid reaction with air. No rapid reaction with water.

Isocyanates and Isothiocyanates

Fluorinated Organic Compounds

Isocyanates and thioisocyanates 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. Polyurethanes are formed by the condensation reaction of diisocyanates with, for example, ethyl glycol.

Section 14. Transport Information

Poison Flammable Liquid

Source: PubChem CID 9483 (NIH/NLM, public domain). Retrieved from PubChem, a public-domain chemistry database maintained by the U.S. National Library of Medicine. Last updated: 2026-08-02 10:07:55.
Disclaimer: This information is compiled for reference only and does not replace the manufacturer's official Safety Data Sheet. Always consult the supplier's SDS before handling any chemical.