CAS 121-17-5|3-Nitro-4-chlorobenzotrifluoride

Introduction：Basic information about CAS 121-17-5|3-Nitro-4-chlorobenzotrifluoride, 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
MUTATION DATA
4. Safety Information
5. Customs
6. Articles4
7. Synonyms

Common Name	3-Nitro-4-chlorobenzotrifluoride
CAS Number	121-17-5	Molecular Weight	225.552
Density	1.5±0.1 g/cm3	Boiling Point	225.3±35.0 °C at 760 mmHg
Molecular Formula	C₇H₃ClF₃NO₂	Melting Point	-2 °C
MSDS	ChineseUSA	Flash Point	101.7±0.0 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	4-Chloro-3-nitrobenzotrifluoride
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	225.3±35.0 °C at 760 mmHg
Melting Point	-2 °C
Molecular Formula	C₇H₃ClF₃NO₂
Molecular Weight	225.552
Flash Point	101.7±0.0 °C
Exact Mass	224.980438
PSA	45.82000
LogP	3.08
Vapour Pressure	0.1±0.4 mmHg at 25°C
Index of Refraction	1.493
InChIKey	TZGFQIXRVUHDLE-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl
Water Solubility	Insoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XS9140000

CHEMICAL NAME :: Toluene, 4-chloro-3-nitro-alpha,alpha,alpha-trifluoro-

CAS REGISTRY NUMBER :: 121-17-5

BEILSTEIN REFERENCE NO. :: 0523986

LAST UPDATED :: 199710

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C7-H3-Cl-F3-N-O2

MOLECULAR WEIGHT :: 225.56

WISWESSER LINE NOTATION :: WNR BG EXFFF

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 :: 1075 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 280 mg/kg/4W-I

TOXIC EFFECTS :: Brain and Coverings - changes in brain weight Liver - changes in liver weight Blood - changes in erythrocyte (RBC) count

MUTATION DATA

TYPE OF TEST :: Unscheduled DNA synthesis

TEST SYSTEM :: Human Embryo

DOSE/DURATION :: 1 gm/L

REFERENCE :: AISSAW Annali dell'Istituto Superiore di Sanita. (Istituto Poligrafico e Zecca dello Stato, Piazza Verdi, 10 Rome, Italy) V.1- 1965- Volume(issue)/page/year: 18,123,1982

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful
Risk Phrases	R22;R36/37/38
Safety Phrases	S26-S36-S37/39
RIDADR	UN 2307 6.1/PG 2
WGK Germany	2
RTECS	XS9140000
Packaging Group	II
Hazard Class	6.1
HS Code	29049085

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%

Articles4

A case of multiple sensitization to three halogeno-substituted mono-nitrobenzenes.

Ital. Gen. Rev. Dermatol. 15(2) , 107-12, (1978)

A case of occupational contact dermatitis in a female chemical pharmaceutical laboratory researcher is described. The allergological investigation revealed a state of sensitization to three mono-nitro...

In vitro mutational studies with trifluralin and trifluorotoluene derivatives.

Ann. Ist. Super. Sanita 18(1) , 123-6, (1982)

[Subchronic oral toxicity in the rat of 3-nitro-4-chloro-alpha,alpha,alpha-trifluorotoluene (NCTT)].

Ann. Ist. Super. Sanita 19(2-3) , 385-9, (1983)

Synonyms

4-chloro-3-nitro-benzotrifluorid

4-chloro-α,α,α-trifluoro-3-nitrotoluene

Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-

4-CHLORO-3-NITROTRIFLUOROBENZENE

MFCD00007084

4-chloro-3-nitro-trifluoroMethyl

3-Nitro-4-chlorobenzotrifluoride

Toluene, 4-chloro-α,α,α-trifluoro-3-nitro-

2-chloro-5-trifluoromethyl-nitrobenzene

CMNT

4-CHLORO-3-NITROBENZOTRIFLLUORIDE

4-chloro-3-nitro-1-trifluoromethyl-benzene

MNT-Cl

4-trifluoromethyl-2-nitro-1-chlorobenzene

4-Chloro-3-nitrobenzotrifluoride

Benzene, 1-chloro-2-nitro-4- (trifluoromethyl)-

3-nitro-4-chlorotrifluoromethylbenzene

4-chloro-1-trifluo

1-Chloro-2-nitro-4-(trifluoromethyl)benzene

EINECS 204-451-6

4-Chloro-3-nitro-4-(trifluoromethyl)benzene

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