1-Chloro-2,3,4,5,6-pentafluorobenzene

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Names

[ CAS No. ]:
344-07-0

[ Name ]:
1-Chloro-2,3,4,5,6-pentafluorobenzene

[Synonym ]:
EINECS 206-450-6
PENTAFLUOROCHLORO BENZENE
Chloropentafluorobenzene
chloropentafuorobenzene
MFCD00000534
Pentafluorophenyl chloride
Benzene, 1-chloro-2,3,4,5,6-pentafluoro-
Chloroperfluorobenzene
Benzene,chloropentafluoro
1-Chloro-2,3,4,5,6-pentafluorobenzene

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
123.8±35.0 °C at 760 mmHg

[ Melting Point ]:
18.1ºC

[ Molecular Formula ]:
C₆ClF₅

[ Molecular Weight ]:
202.509

[ Flash Point ]:
29.5±19.4 °C

[ Exact Mass ]:
201.960876

[ LogP ]:
2.28

[ Vapour Pressure ]:
15.8±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.422

[ Storage condition ]:
Refrigerator

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CZ1225500

CHEMICAL NAME :: Benzene, chloropentafluoro-

CAS REGISTRY NUMBER :: 344-07-0

LAST UPDATED :: 199701

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C6-Cl-F5

MOLECULAR WEIGHT :: 202.51

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 :: >5 gm/kg

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

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >4840 mg/m3/4H

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

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2500 mg/m3/6H/3W-I

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), diffuse Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2500 mg/m3/6H/3W-I

TOXIC EFFECTS :: Liver - other changes Liver - changes in liver weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 10500 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 62500 ug/L

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD-A187-233 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 2 mg/m3 JAN 1993

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Hazard Codes ]:
Xn:Harmful;Xi:Irritant;

[ Risk Phrases ]:
R20

[ Safety Phrases ]:
S23-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
CZ1225500

[ HS Code ]:
2903999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Pentafluorobenzene
PENTAFLUOROTHIOPHENOL
Pentafluorobenzenesulfenyl chloride
Bis(pentafluorophenyl) perdisulfide
lithium pentafluorobenzene
Hexachlorobenzene
1,1-Dichloro-2,2-difluoroethene
α,α-dichlorodecafluoroisopropylbenzene
2,3,4,5,6-Pentafluoroaniline
Perfluoropropylbenzene

DownStream

1,2,4,5-Tetrafluorobenzene
tetrafluorobenzene
Pentafluorobenzene
1,2,4-Trifluorobenzene
2,3,5,6-Tetrafluorobenzonitrile
Benzonitrile,4,4'-[(2,4,5,6-tetrafluoro-m-phenylene)dioxy]bis[2,3,5,6-tetrafluoro- (8CI)
chlorotrifluoromethane
hexafluoroethane
Perfluorotoluene
IODOPENTAFLUOROBENZENE

Customs

[ HS Code ]: 2903999090

[ Summary ]:
2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Gas chromatography with parallel hard and soft ionization mass spectrometry.

Rapid Commun. Mass Spectrom. 29(1) , 91-9, (2014)

Mass spectrometric identification of compounds in chromatography can be obtained from molecular masses from soft ionization mass spectrometry techniques such as field ionization (FI) and fragmentation...

Oxidative dehalogenation of perhalogenated benzenes by cytochrome P450 compound I.

Biochemistry 46(20) , 5924-40, (2007)

Resolution of the identity PBE (RI-PBE) and B3LYP density functional theory calculations are used to understand the cytochrome P450-catalyzed, Compound I-mediated oxidation of perchlorobenzenes, perfl...

Catalytic and Noncatalytic Ammonolysis of Chloropentafluorobenzene. Selivanova GA, et al.

Russ. J. Org. Chem. 37(3) , 404-9, (2001)

1-Chloro-2,3,4,5,6-pentamethylbenzene
1-chloro-2,3,4,5,6-pentakis(dichloromethyl)benzene
1-Chloro-2,3,4,5,6-pentakis(trifluoromethyl)benzene
1-(1-chloro-2,2-difluoroethenyl)-2,3,4,5,6-pentafluorobenzene
Chloro(2H5)benzene
1-azidoselanyl-2,3,4,5,6-pentafluorobenzene
Methyl 2-(aminomethyl)-6-methylisonicotinate
Tert-butyl (4-acetyl-6-methoxypyridin-2-YL)methylcarbamate
[6-Methoxy-4-(trifluoromethyl)pyridin-2-YL]methylamine
2-(Aminomethyl)-6-methoxypyridin-4-OL
Methyl 2-(aminomethyl)-6-(trifluoromethyl)isonicotinate
Tert-butyl [4-acetyl-6-(trifluoromethyl)pyridin-2-YL]methylcarbamate
2-(Aminomethyl)-6-(trifluoromethyl)pyridin-4-OL
6-(Aminomethyl)pyridine-2,4-diamine
Tert-butyl [4-(acetylamino)-6-formylpyridin-2-YL]methylcarbamate
Tert-butyl (4,6-diformylpyridin-2-YL)methylcarbamate

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