4-Chlorothiophenol

Names

[ CAS No. ]:
106-54-7

[ Name ]:
4-Chlorothiophenol

[Synonym ]:
Benzenethiol, 4-chloro-
4-Chloromercaptobenzene
EINECS 203-408-9
MFCD00004847
4-Chlorobenzenethiol
4-Chlorothiophenol

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
206.8±13.0 °C at 760 mmHg

[ Melting Point ]:
49-51 °C(lit.)

[ Molecular Formula ]:
C₆H₅ClS

[ Molecular Weight ]:
144.622

[ Flash Point ]:
78.6±19.2 °C

[ Exact Mass ]:
143.980042

[ PSA ]:
38.80000

[ LogP ]:
3.36

[ Vapour Pressure ]:
0.3±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.606

[ Water Solubility ]:
insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DC1050000

CHEMICAL NAME :: Benzenethiol, p-chloro-

CAS REGISTRY NUMBER :: 106-54-7

BEILSTEIN REFERENCE NO. :: 0605971

LAST UPDATED :: 199709

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C6-H5-Cl-S

MOLECULAR WEIGHT :: 144.62

WISWESSER LINE NOTATION :: SHR DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,989,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,989,1986 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 75 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: AD691-490 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 8000 mg/kg/20W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 19,413,1959

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R22;R34

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
DC1050000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

bis(4-chlorophenyl) disulfide
4-Chlorobenzenesulfonyl chloride
Ethanone,2-[(4-chlorophenyl)thio]-1-phenyl-
1-Chloro-4-iodobenzene
(4-methoxyphenyl) thiohypochlorite
Chlorobenzene
(4-Chlorophenyl)boronic acid
4-Chlorobenzenesulfonic acid
Sodium 4-chlorobenzene sulfinate
1-chloro-4-(dichloromethylsulfanyl)benzene

DownStream

4-[5-(4-chlorophenyl)sulfanylpentoxy]-3-methoxy-aniline
4-(4-chlorophenylthio)-6-ethyl-5-fluoropyrimidine
N-(4-chlorophenyl)sulfanylbenzamide
4-(4-chlorophenyl)sulfanylmorpholine
N-benzoyl-4-methylbenzenesulfenamide
N-(4-nitrophenyl)sulfanylbenzamide
bis(4-chlorophenyl) disulfide
Benzamide
1-[(4-chlorophenyl)disulfanyl]-4-nitrobenzene
1-bromo-4-[(4-chlorophenyl)disulfanyl]benzene

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

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J. Am. Chem. Soc. 137 , 8819-28, (2015)

We report the systematic characterization of anisotropic, π-conjugated oligophenyleneimine (OPI) films synthesized using stepwise imine condensation, or "click" chemistry. Film synthesis began with a ...

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Arch. Pharm. (Weinheim) 347(11) , 861-72, (2014)

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