Methyl 2-sulfanylbenzoate

Names

[ Name ]:
Methyl 2-sulfanylbenzoate

[Synonym ]:
Methyl 2-Mercaptobenzoate
2-Mercaptobenzoic Acid Methyl Ester
Thiosalicylic Acid Methyl Ester
Methyl 2-sulfanylbenzoate
Methyl thiosalicylate
Benzoic acid, 2-mercapto-, methyl ester
EINECS 232-189-9
MFCD00060678

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
261.9±23.0 °C at 760 mmHg

[ Molecular Formula ]:
C₈H₈O₂S

[ Molecular Weight ]:
168.213

[ Flash Point ]:
161.5±10.5 °C

[ Exact Mass ]:
168.024506

[ PSA ]:
65.10000

[ LogP ]:
2.69

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.574

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH3500000

CHEMICAL NAME :: Benzoic acid, o-mercapto-, methyl ester

CAS REGISTRY NUMBER :: 4892-02-8

BEILSTEIN REFERENCE NO. :: 0956859

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H8-O2-S

MOLECULAR WEIGHT :: 168.22

WISWESSER LINE NOTATION :: 1SVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 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: AD277-689

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H315-H319-H332-H335

[ Precautionary Statements ]:
P261-P280-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 ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH3500000

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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

Synthesis and in vitro/in vivo evaluation of novel mono- and trivalent technetium-99m labeled ghrelin peptide complexes as potential diagnostic radiopharmaceuticals.

Nucl. Med. Biol. 42(1) , 28-37, (2014)

Ghrelin is an endogenous hormone present in blood. It is released from the oxyntic cells (X/A-like cells) of the stomach and fundus and can exist in two forms: as an acylated and des-acylated ghrelin....

A chiral thioxanthone as an organocatalyst for enantioselective [2+2] photocycloaddition reactions induced by visible light.

Angew. Chem. Int. Ed. Engl. 53(17) , 4368-71, (2014)

Thioxanthone 1, which was synthesized in a concise fashion from methyl thiosalicylate, exhibits a significant absorption in the visible light region. It allows for an efficient enantioselective cataly...

Novel alternative for the N-S bond formation and its application to the synthesis of benzisothiazol-3-ones.

Org. Lett. 8(21) , 4811-3, (2006)

[reaction: see text] The synthesis of a series of benzisothiazolone derivatives starting from the readily available methyl thiosalicylate is presented. The key cyclization step features the formation ...