3-Nitrobenzotrifluoride

Modify Date: 2024-01-02 05:47:36

3-Nitrobenzotrifluoride Structure
3-Nitrobenzotrifluoride structure
Common Name 3-Nitrobenzotrifluoride
CAS Number 98-46-4 Molecular Weight 191.107
Density 1.4±0.1 g/cm3 Boiling Point 202.8±0.0 °C at 760 mmHg
Molecular Formula C7H4F3NO2 Melting Point -5 °C
MSDS Chinese USA Flash Point 87.8±0.0 °C
Symbol GHS06
GHS06
Signal Word Danger

 Names

Name 3-Nitrobenzotrifluoride
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 202.8±0.0 °C at 760 mmHg
Melting Point -5 °C
Molecular Formula C7H4F3NO2
Molecular Weight 191.107
Flash Point 87.8±0.0 °C
Exact Mass 191.019409
PSA 45.82000
LogP 2.62
Vapour Pressure 0.4±0.3 mmHg at 25°C
Index of Refraction 1.473
Water Solubility 0.4 g/L (20 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT3500000
CHEMICAL NAME :
Toluene, 3-nitro-alpha,alpha,alpha-trifluoro-
CAS REGISTRY NUMBER :
98-46-4
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C7-H4-F3-N-O2
MOLECULAR WEIGHT :
191.12
WISWESSER LINE NOTATION :
WNR CXFFF

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 :
610 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression
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: 10,131,1968
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
870 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,92,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
520 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression
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: 10,131,1968
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
880 mg/m3/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,92,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
573 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay)
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 130,250,1928 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H302-H315-H319-H330-H335
Precautionary Statements P260-P284-P305 + P351 + P338-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;R52/53
Safety Phrases S26-S28-S36/37-S45-S61-S36/37/39-S28A
RIDADR UN 2306 6.1/PG 2
WGK Germany 2
RTECS XT3500000
Packaging Group II
Hazard Class 6.1
HS Code 2904909090

 Synthetic Route

 Customs

HS Code 2904909090
Summary HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Articles1

More Articles
The Structures of Biphenyl, o-Terphenyl and Tetraphenylene1. Karle IL and Brockway LO.

J. Am. Chem. Soc. 66(11) , 1974-1979, (1944)

 Synonyms

USAF ma-5
Toluene, α,α,α-trifluoro-m-nitro-
Benzene, 1-nitro-3-(trifluoromethyl)-
EINECS 202-670-1
MFCD00007260
3-Nitrobenzotrifluor
nitrobenzotrifluoride
3-Nitrobenzotrifluoride
m-Nitrobenzotrifluoride
3-trifluoromethyl-1-nitrobenzene
3-nitrotrifluoromethylbenzene
m-trifluoromethyl nitrobenzene
m-Trifluoromethyl
α,α,α-Trifluoro-3-nitrotoluene
nitro-3benzotrifluoride
1-Nitro-3-(trifluoromethyl)benzene
3-NITROTRIFLUOROTOLUENE
m-nitrotrifluoromethylbenzene
3-(Trifluoromethyl)nitrobenzene
m-Nitrotrifluortoluol
WNR CXFFF
m-(Trifluoromethyl)nitrobenzene
α,α,α-Trifluoro-m-nitrotoluene
m-Nitrotrifluorotoluene
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