CAS 100-68-5|Thioanisole

Introduction:Basic information about CAS 100-68-5|Thioanisole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameThioanisole
CAS Number100-68-5Molecular Weight124.203
Density1.0±0.1 g/cm3Boiling Point193.0±0.0 °C at 760 mmHg
Molecular FormulaC7H8SMelting Point−15 °C(lit.)
MSDSChineseUSAFlash Point57.2±0.0 °C
Symbol
GHS07
Signal WordWarning

Names

NameThioanisole
SynonymMore Synonyms

Chemical & Physical Properties

Density1.0±0.1 g/cm3
Boiling Point193.0±0.0 °C at 760 mmHg
Melting Point−15 °C(lit.)
Molecular FormulaC7H8S
Molecular Weight124.203
Flash Point57.2±0.0 °C
Exact Mass124.034668
PSA25.30000
LogP2.70
Vapour Pressure0.7±0.3 mmHg at 25°C
Index of Refraction1.569
InChIKeyHNKJADCVZUBCPG-UHFFFAOYSA-N
SMILESCSc1ccccc1
Storage condition2-8°C
StabilityStable. Combustible. Incompatible with strong oxidizing agents.
Water SolubilityINSOLUBLE

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 WordWarning
Hazard StatementsH302-H315-H319-H335
Precautionary StatementsP261-P305 + P351 + P338
Personal Protective EquipmentEyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXn:Harmful;
Risk PhrasesR22;R36/37/38
Safety PhrasesS26-S36/39-S36/37
RIDADRUN 1993 3/PG 3
WGK Germany3
RTECSDA6200000
Packaging GroupIII
Hazard Class9
HS Code29309070

Customs

HS Code2930909090
Summary2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Synonyms

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
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