2-Methoxybenzenethiol
Names
[ CAS No. ]:
7217-59-6
[ 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
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
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
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)