3-Nitro-4-chlorobenzotrifluoride

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Names

[ CAS No. ]:
121-17-5

[ Name ]:
3-Nitro-4-chlorobenzotrifluoride

[Synonym ]:
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

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

[ Water Solubility ]:
Insoluble

MSDS

Click to get detail MSDS

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Chlorobenzotrifluoride
  • p-Chlorobenzotrichloride

DownStream

  • 1,2-Difluor-4-(trifluormethyl)benzol
  • 4-Fluoro-3-nitrobenzotrifluoride
  • 2-nitro-1-[2-nitro-4-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)benzene
  • 1-Bromo-2-nitro-4-(trifluoromethyl)benzene
  • 1-Methoxy-2-nitro-4-(trifluoromethyl)benzene
  • 3,5-Dinitro-4-chlorobenzotrifluoride
  • 2-Fluoro-5-(trifluoromethyl)aniline
  • 2-Amino-4-(trifluoromethyl)phenol
  • 2-Nitro-1,4-bis(trifluoromethyl)benzene
  • 4-Pentafluoroethyl-3-nitro-benzotrifluoride

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%

Articles

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)


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