CAS 98-46-4|3-Nitrobenzotrifluoride

Introduction：Basic information about CAS 98-46-4|3-Nitrobenzotrifluoride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles1
7. Synonyms

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	ChineseUSA	Flash Point	87.8±0.0 °C
Symbol	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
InChIKey	WHNAMGUAXHGCHH-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1cccc(C(F)(F)F)c1
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
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

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

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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