Thioanisole

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Names

[ CAS No. ]:
100-68-5

[ Name ]:
Thioanisole

[Synonym ]:
Methyl phenyl sulfide
methylsulfanylbenzene
methyl phenyl sulphide
Sulfide, methyl phenyl
(Methylthio)benzene
Methyl phenyl thioether
(Methylsulfanyl)benzene
Benzene, (methylthio)-
Methyl phenylsulfide
Methylthiobenzene
Phenylthiomethane
EINECS 202-878-2
MFCD00008559
Thioanisole
methyl-phenyl sulfide
methylphenylsulfide
Phenyl methyl sulfide

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
193.0±0.0 °C at 760 mmHg

[ Melting Point ]:
−15 °C(lit.)

[ Molecular Formula ]:
C₇H₈S

[ Molecular Weight ]:
124.203

[ Flash Point ]:
57.2±0.0 °C

[ Exact Mass ]:
124.034668

[ PSA ]:
25.30000

[ LogP ]:
2.70

[ Vapour Pressure ]:
0.7±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.569

[ Storage condition ]:
2-8°C

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
INSOLUBLE

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DA6200000

CHEMICAL NAME :: Benzene, (methylthio)-

CAS REGISTRY NUMBER :: 100-68-5

LAST UPDATED :: 199710

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C7-H8-S

MOLECULAR WEIGHT :: 124.21

WISWESSER LINE NOTATION :: 1SR

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 :: 891 mg/kg

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

REFERENCE :: PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 1,356,1971

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00184

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-S36/39-S36/37

[ RIDADR ]:
UN 1993 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
DA6200000

[ Packaging Group ]:
III

[ Hazard Class ]:
9

[ HS Code ]:
29309070

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Thiophenol
Dimethyl Carbonate
methyl phenyl sulfoxide
Methyl acetate
Tetramethoxymethane
Trimethyl orthoformate
methyl iodide
1,1,1-Trimethoxyethane
SILANE, TRIMETHYL((PHENYLTHIO)METHYL)-
4-Bromothioanisole

DownStream

[cyclohexen-1-yl(phenylsulfanyl)methyl]-trimethylsilane
but-3-ynylsulfanylbenzene
2-chloro-1-(4-methylsulfanylphenyl)ethanone
3,4-Dihydroisoquinoline
methyl phenyl sulfoxide
4-Bromophenyl methyl sulfone
4-(Methylthio)benzaldehyde
1-(4-methylsulfanylphenyl)-3-phenylpropan-1-one
((trifluoromethyl)thio)benzene
N-Benzylidene-tert-butylamine

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%

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