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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Related Compounds

  • thioanisole
  • thioanisole
  • 2-Thioanisole
  • Thioanisole-d3
  • bromothioanisole,4
  • 2-cyanothioanisole
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  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
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  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 2-(2-Methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
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