Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3-(Trifluoromethyl)phenyl isocyanate
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Henan Tianfu Chemical Co., Ltd.
China
Product Name: 1-isocyanato-3-(trifluoromethyl)benzene
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
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329-01-1

329-01-1 structure

329-01-1 structure

Name: 3-(Trifluoromethyl)phenyl isocyanate
Chemical Name: 1-isocyanato-3-(trifluoromethyl)benzene
CAS Number: 329-01-1
Molecular Formula: C₈H₄F₃NO
Molecular Weight: 187.119
Catalog: Chemical reagent Organic reagent Cyanate ester / isocyanate
Create Date: 2018-07-03 19:58:22
Modify Date: 2026-07-01 21:52:36

Name	1-isocyanato-3-(trifluoromethyl)benzene
Synonyms	M-(TRIFLUOROMETHYL)PHENYL ISOCYANATE Isocyanic acid, alpha,alpha,alpha-trifluoro-m-tolyl ester a,a,a-Trifluoro-m-tolyl isocyanate 3-CF3phenylisocyanate m-trifluoromethylphenyl isocyanate alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate Isocyanic acid m-trifluoromethylphenyl 3-(Trifluoromethyl)phenyl Isocyanate(See C4X-112420) Sorafenib Impurity 17 CRS 3-Isocyanatobenzotrifluoride, 1-Isocyanato-3-(trifluoromethyl)benzene isocyanobenzotrifluoride EINECS 206-341-3 3-Isocyanatobenzotrifluoride~alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate MOP3 3-(Trifluoromethyl)phenyl isocyate 3-Isocyanatobenzotrifluoride 1-isocyanato-3-(trifluoromethyl)-benzen alpha,alpha,alpha-Trifluoro-3-tolyl isocyanate 3-Trifluoromethylphenylcyanate 3-(Trifluoromethyl)phenylIsocyanate> 3-trifluromethyl phenyl isocyanate Sorafenib Impurity 17 ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL ISOCYANATE alpha,alpha,alpha-Trifluoro-meta-tolylisocyanate alpha,alpha,alpha-Trifluoro-M-tolyl isocyanate, R 3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 3-trifluoromethylisocyanate 3-Trifluormethyl-phenylisocyanat Isocyanobenzotrifluoride TRIFLUOROMETHYL PHENYLISOCYANATE Isocyanic acid m-trifluoromethylphenyl ester Benzotrifluoro-3-isocyanate ISOCYANIC ACID 3-(TRIFLUOROMETHYL)PHENYL ESTER à,à,à-trifluoro-m-tolyl isocyanate MFCD00002020 benzene-1-isocyanato-3-(trifluoromethyl) α,α,α-trifluoro-3-tolyl isocyanate alpha,alpha,alpha-Trifluo Isocyanic Acid 3-(Trifluoromethyl)phenyl Ester α,α,α-Trifluoro-m-tolyl Isocyanate Isocyanatobenzotrifluoride α，α，α-Trifluoro-m-tolyl isocyanate Isocyanic Acid 3-(Trifluoromethyl)phenyl Ester alpha,alpha,alpha-Trifluoro-m-tolyl Isocyanate 3-(Trifluoromethyl)phenyl Isocyanate isocyanicacid,(m-trifluoromethylphenyl)ester A,A,A-TRIFLUORO-M-TOLYL ISOCYANATE PASD3 JAP3 1-Isocyanato-3-(trifluoromethyl)benzene BMAL1

Density	1.336
Boiling Point	54 ºC (11 mmHg)
Melting Point	-26 °C
Molecular Formula	C₈H₄F₃NO
Molecular Weight	187.119
Flash Point	58 ºC
Exact Mass	187.024506
PSA	29.43000
LogP	3.95
Vapour Pressure	2.0±0.3 mmHg at 25°C
Index of Refraction	1.467-1.469

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NR0200000

CHEMICAL NAME :: Isocyanic acid, (m-trifluoromethylphenyl) ester

CAS REGISTRY NUMBER :: 329-01-1

BEILSTEIN REFERENCE NO. :: 0744880

LAST UPDATED :: 199806

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C8-H4-F3-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 975 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 328 mg/m3/1H

TOXIC EFFECTS :: Sense Organs and Special Senses (Olfaction) - deviated nasal septum Lungs, Thorax, or Respiration - other changes Gastrointestinal - other changes

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535360

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 975 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3300 mg/m3

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 871 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 39,2204,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 478 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 11300 ug/m3/4H/17W-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Cardiac - other changes Liver - other changes

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 11300 ug/m3/2H/11W-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Cardiac - other changes Liver - other changes

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

Symbol	GHS02, GHS06, GHS08
Signal Word	Danger
Hazard Statements	H226-H302-H315-H317-H330-H334-H335
Precautionary Statements	P260-P280-P284-P310
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	T+:Verytoxic;
Risk Phrases	R21/22;R26;R36/37/38;R42
Safety Phrases	S23-S28-S45-S36/37/39-S28A-S26-S36/37-S22-S9
RIDADR	UN 3384 6.1/PG 1
WGK Germany	2
RTECS	NR0200000
Packaging Group	II
Hazard Class	6.1
HS Code	2929109000

Precursor 6
32315-10-9 98-16-8 75-44-5 69563-05-9
503-38-8 2164-17-2
DownStream 10
29209-09-4 126938-43-0 330796-24-2 2164-17-2
86927-99-3 88452-29-3 88808-39-3 78614-24-1
79513-91-0 89676-71-1

HS Code	2929109000
Summary	2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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