329-01-1
3-(trifluoromethyl)phenyl isocyanate
CAS: 329-01-1
Molecular Formula: C8H4F3NO
329-01-1 - Names and Identifiers
| Name | 3-(trifluoromethyl)phenyl isocyanate |
| Synonyms | 3-Trifluoromethylphenylcyanate 3-Trifluromethylphenyl isocyanate 3-(trifluoromethyl)phenyl isocyanate 1-isocyanato-3-(trifluoromethyl)benzene 1-isocyanato-3-(trifluoromethyl)-benzen 1-Isocyanato-3-(trifluoromethyl)benzene benzene-1-isocyanato-3-(trifluoromethyl)- Isocyanic acid m-trifluoromethylphenyl ester alpha,alpha,alpha-trifluoro-3-tolyl isocyanate alpha,alpha,alpha-Trifluoro-3-tolyl isocyanate alpha,alpha,alpha-Trifluoro-meta-tolylisocyanate alpha,alpha,alpha-trifluoro-meta-tolyl isocyanate Isocyanic acid, alpha,alpha,alpha-trifluoro-m-tolyl ester 3-Isocyanatobenzotrifluoride~alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate |
| CAS | 329-01-1 |
| EINECS | 206-341-3 |
| InChI | InChI=1/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H |
329-01-1 - Physico-chemical Properties
| Molecular Formula | C8H4F3NO |
| Molar Mass | 187.12 |
| Density | 1.359g/mLat 25°C(lit.) |
| Melting Point | -26 °C |
| Boling Point | 54°C11mm Hg(lit.) |
| Flash Point | 138°F |
| Water Solubility | 5.46g/L at 25℃ |
| Solubility | soluble in Toluene |
| Vapor Presure | 2.44 psi ( 20 °C) |
| Appearance | clear liquid |
| Specific Gravity | 1.359 |
| Color | Colorless to Almost colorless |
| BRN | 744880 |
| Storage Condition | Keep Cold |
| Sensitive | Lachrymatory |
| Refractive Index | n20/D 1.467(lit.) |
| Physical and Chemical Properties | This product is oily liquid, B. p.54 ~ 55 ℃/1.5 kPa,n20D 1.4742, relative density of 1.3455, soluble in organic solvents, water decomposition. |
329-01-1 - Risk and Safety
| Risk Codes | R20/22 - Harmful by inhalation and if swallowed. R37/38 - Irritating to respiratory system and skin. R42 - May cause sensitization by inhalation R36/37/38 - Irritating to eyes, respiratory system and skin. R26 - Very Toxic by inhalation R21/22 - Harmful in contact with skin and if swallowed. R22 - Harmful if swallowed |
| Safety Description | S23 - Do not breathe vapour. S28 - After contact with skin, wash immediately with plenty of soap-suds. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S28A - S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S22 - Do not breathe dust. S9 - Keep container in a well-ventilated place. |
| UN IDs | UN 3384 6.1/PG 1 |
| WGK Germany | 2 |
| RTECS | NR0200000 |
| FLUKA BRAND F CODES | 10 |
| TSCA | Yes |
| HS Code | 29291090 |
| Hazard Note | Toxic/Lachrymatory/Keep Cold |
| Hazard Class | 6.1 |
| Packing Group | II |
329-01-1 - Nature
Open Data Verified Data
A colorless transparent liquid at room temperature. The boiling point is 54~55 ℃, the refractive index is 1.467~1. 468, and the relative density is 1. 335~1. 3362. Water, alkali, alcohol decomposition, should be protected from light sealed preservation. This product is toxic.
Last Update：2024-01-02 23:10:35
329-01-1 - Preparation Method
Open Data Verified Data
for preparation, see phenyl isocyanate (C351).
Last Update：2022-01-01 10:55:02
329-01-1 - Use
Open Data Verified Data
This product is used for the synthesis of pesticides (such as herbicide vortazone, etc.), medicine and other fine chemicals.
Last Update：2022-01-01 10:55:02
329-01-1 - Safety
Open Data Verified Data
This product is toxic and has strong irritation to the mucous membrane of human eyes and respiratory organs. Absorption through the skin can cause poisoning, and the maximum allowable concentration in the air of the workplace is 0. 14mg/m3.
Last Update：2022-01-01 10:55:03
329-01-1 - Reference Information
| LogP | 2.04 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | 3-trifluoromethylphenyl isocyanate is an intermediate of the herbicide fluoxalone. Mainly used as medicine and pesticide intermediates. |
| production method | its preparation method is to add 3-trifluoromethylaniline and chlorobenzene to the reaction bottle, stir, mix and dissolve it, cool to 0~10 ℃, add dry hydrogen chloride to saturate it, then add N,N-diisobutyl chloromethylamide, heat to 50 ℃ for 30 min, and then inject phosgene, after a certain amount of phosgene is introduced, the reaction is over, and nitrogen is introduced to exhaust the hydrogen chloride and the remaining phosgene in the material. After the material is exhausted, the material is distilled and desoluted to obtain the finished product. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 975 mg/kg; Oral-mouse LD50: 975 mg/kg |
| flammability hazard characteristics | combustible; combustion produces toxic fluoride and nitrogen oxide gas |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Separate storage and transportation from oxidants, acids and food |
| fire extinguishing agent | dry powder, sand, foam, carbon dioxide |
Last Update：2024-04-09 02:00:05
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Multiple SpecificationsSpot supply
Product Name: Sorafenib Impurity 17 Visit Supplier Webpage Request for quotationCAS: 329-01-1
Tel: 0714-3999186
Email: 2853786052@qq.com
Mobile: 86+15671228036
QQ: 2853786052
Wechat: 15671228036
Product Name: 3-(trifluoromethyl)phenyl isocyanate Request for quotation
CAS: 329-01-1
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
CAS: 329-01-1
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
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