3-(Trifluoromethyl)phenyl isocyanate

Modify Date: 2025-08-20 17:54:57

3-(Trifluoromethyl)phenyl isocyanate structure	Common Name	3-(Trifluoromethyl)phenyl isocyanate
	CAS Number	329-01-1	Molecular Weight	187.119
	Density	1.336	Boiling Point	54 ºC (11 mmHg)
	Molecular Formula	C₈H₄F₃NO	Melting Point	-26 °C
	MSDS	Chinese USA	Flash Point	58 ºC
	Symbol	GHS02, GHS06, GHS08	Signal Word	Danger

Name	1-isocyanato-3-(trifluoromethyl)benzene
Synonym	More Synonyms

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

3-(Trifluoromethyl)phenyl isocyanate MSDS(Chinese)

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
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DownStream 10
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CAS#:86927-99-3 (3-diethylamino... CAS#:88452-29-3 1-benzyl-1-buty... CAS#:88808-39-3 3-[3-(trifluoro... CAS#:78614-24-1 methyl 3-[[3-(t...
CAS#:79513-91-0 1-(2,6-dimethyl... CAS#:89676-71-1 4-[3-(trifluoro...

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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α,α,α-Trifluoro-m-tolyl Isocyanate

3-Isocyanatobenzotrifluoride

3-trifluoromethylisocyanate

a,a,a-Trifluoro-m-tolyl isocyanate

3-CF3phenylisocyanate

3-(Trifluoromethyl)phenyl Isocyanate

Isocyanobenzotrifluoride

m-trifluoromethylphenyl isocyanate

MFCD00002020

alpha,alpha,alpha-Trifluoro-m-tolyl isocyanate

Benzene, 1-isocyanato-3-(trifluoromethyl)-

1-Isocyanato-3-(trifluoromethyl)benzene

Isocyanic Acid 3-(Trifluoromethyl)phenyl Ester

EINECS 206-341-3

Sorafenib Impurity 17

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China
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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
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3-(Trifluoromethyl)phenyl isocyanate

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Precursor & DownStream

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Synonyms

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