2-Methoxybenzenethiol

Suppliers

Names

[ Name ]:
2-Methoxybenzenethiol

[Synonym ]:
Thioguaiacol
2-OMe-C6H4-SH
EINECS 230-605-7
O-METHOXYTHIOPHENOL
o-methoxy-benzenethio
2-METHOXYTHIOPHENOL
Benzenethiol, 2-methoxy-
o-methoxybenzenethiol
2-Methoxybenzenethiol
2-methoxy-benzenethio
2-Methoxythiophenole
MFCD00004834
methoxybenzenethiol
2-MERCAPTOANISOLE

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
235.4±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C₇H₈OS

[ Molecular Weight ]:
140.203

[ Flash Point ]:
95.6±0.0 °C

[ Exact Mass ]:
140.029587

[ PSA ]:
48.03000

[ LogP ]:
2.23

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.566

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DC1790000

CHEMICAL NAME :: Benzenethiol, o-methoxy-

CAS REGISTRY NUMBER :: 7217-59-6

BEILSTEIN REFERENCE NO. :: 2042178

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H8-O-S

MOLECULAR WEIGHT :: 140.21

WISWESSER LINE NOTATION :: SHR BO1

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 :: 1740 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 19,753,1981

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1560 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 19,753,1981

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-S36/37

[ RIDADR ]:
3334

[ WGK Germany ]:
3

[ RTECS ]:
DC1790000

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

bromoanisole
2-Chloroanisole
iodoanisole
2-Methoxy thioanisole
BENZO[D][1,3]OXATHIOLE
Anisole
Ethanethiol
Guaiacol
(3S,3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-3-(((2-methoxyphenyl)thio)methyl)-9-methyl-6-methyleneoctahydroazuleno[4,5-b]furan-2,8(3H,9bH)-dione
2-methoxybenzenediazonium

DownStream

2,4-BPS
1-[4-(2-methoxyphenyl)sulfanyl-3-nitrophenyl]ethanone
(2-Methoxy-phenylsulfanyl)-acetic acid
3-Pyridazinamine, 6-[(2-methoxyphenyl)thio]-
2,3-diphenyl-1-benzothiophen-7-ol
7-METHOXYBENZO[B]THIOPHENE
2-(Methylthio)phenol
1-(2-methoxyphenyl)sulfanyl-N,N-dimethyl-formamide
Propanoic acid, 3-[(2-methoxyphenyl)thio]-, ethyl ester
2-Methoxy thioanisole

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

Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

J. Med. Chem. 54 , 591-602, (2011)

Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced...

Acute toxicity of thioguaiacol and of versalide in rodents.

Food Cosmet. Toxicol. 19(6) , 753-5, (1981)

Asymmetric conjugate addition of thiols to chiral methacryloyloxazolidinones. Tseng T-C and Wu M-J.

Tetrahedron Asymmetry 6(7) , 1633-40, (1995)