2-(Trifluoromethyl)phenyl isocyanate

Modify Date: 2025-08-26 13:07:23

2-(Trifluoromethyl)phenyl isocyanate Structure
2-(Trifluoromethyl)phenyl isocyanate structure
 Common Name 2-(Trifluoromethyl)phenyl isocyanate
CAS Number 2285-12-3 Molecular Weight 187.119
Density 1.3±0.1 g/cm3 Boiling Point 184.7±40.0 °C at 760 mmHg
Molecular Formula C8H4F3NO Melting Point N/A
MSDS Chinese USA Flash Point 69.0±17.0 °C
Symbol GHS02 GHS07
GHS02, GHS07		 Signal Word Warning

 Names

Name 1-isocyanato-2-(trifluoromethyl)benzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 184.7±40.0 °C at 760 mmHg
Molecular Formula C8H4F3NO
Molecular Weight 187.119
Flash Point 69.0±17.0 °C
Exact Mass 187.024506
PSA 29.43000
LogP 3.55
Vapour Pressure 0.7±0.4 mmHg at 25°C
Index of Refraction 1.462
InChIKey GZWGTVZRRFPVAS-UHFFFAOYSA-N
SMILES O=C=Nc1ccccc1C(F)(F)F
Storage condition 0-6°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NR0201000
CHEMICAL NAME :
Isocyanic acid, (alpha,alpha,alpha-trifluoro-o-tolyl) ester
CAS REGISTRY NUMBER :
2285-12-3
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H4-F3-N-O
MOLECULAR WEIGHT :
187.13
WISWESSER LINE NOTATION :
NCOR BXFFF

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 :
7 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 15,128,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 15,128,1979

 Safety Information

Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning
Hazard Statements H226-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T:Toxic;
Risk Phrases R23/24/25;R36/37/38
Safety Phrases S26-S27-S36/37/39
RIDADR UN 3384 6.1/PG 1
WGK Germany 2
RTECS NR0201000
Packaging Group II
Hazard Class 6.1
HS Code 2929109000

 Customs

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

 Synonyms

alpha,alpha,alpha-Trifluoro-o-tolyl isocyanate
Isocyanic acid, α,α,α-trifluoro-o-tolyl ester
Isocyanic Acid 2-(Trifluoromethyl)phenyl Ester
MFCD00002008
1-Isocyanato-2-(trifluoromethyl)benzene
Benzene,1-isocyanato-2-(trifluoromethyl)
o-(trifluoromethyl)phenyl isocyanate
α,α,α-Trifluoro-o-tolyl Isocyanate
Benzene, 1-isocyanato-2-(trifluoromethyl)-
EINECS 218-925-5
OCNR BXFFF
2-(Trifluoromethyl)phenyl isocyanate
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