

Thiobenzoic acid
Catalog No: FT-0651866
CAS No: 98-91-9
- Chemical Name: Thiobenzoic acid
- Molecular Formula: C7H6OS
- Molecular Weight: 138.19
- InChI Key: UIJGNTRUPZPVNG-UHFFFAOYSA-N
- InChI: InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Assay | Pack Size | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Symbol: | GHS07 |
---|---|
CAS: | 98-91-9 |
Flash_Point: | >230 °F |
Product_Name: | Thiobenzoic acid |
Bolling_Point: | 122 °C30 mm Hg(lit.) |
FW: | 138.18700 |
Melting_Point: | 15-18 °C(lit.) |
MF: | C7H6OS |
Density: | 1.174 g/mL at 25 °C(lit.) |
Refractive_Index: | n20/D 1.605(lit.) |
---|---|
Flash_Point: | >230 °F |
LogP: | 1.75660 |
Bolling_Point: | 122 °C30 mm Hg(lit.) |
Water_Solubility: | insoluble |
PSA: | 55.87000 |
Molecular_Structure: | ['1 . Molar refractive index 4044 ', '2 . Molar volume 1098 ', '3 . Parachor (902K)3108 ', '4 . Surface tension 641 ', '5 . Dielectric constant ', '6 偶极距(10-24cm3) ', '7 . Polarizability 1603'] |
Computational_Chemistry: | ['1 . XlogP 24 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 1 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 171 ', '7 . Heavy Atom Count 9 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 106 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1'] |
Melting_Point: | 15-18 °C(lit.) |
MF: | C7H6OS |
Exact_Mass: | 138.01400 |
FW: | 138.18700 |
Density: | 1.174 g/mL at 25 °C(lit.) |
More_Info: | ['1 . Appearance Yellow Liquid ,有恶臭。 ', '2 . Density(g/mL,25℃)1174 ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)15-18 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,30mmHg)122 ', '7 . Refractive index1605 ', '8 . Flash point(ºC)94 ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC): Unknow ', '11 . Vapor pressure(mmHg,ºC)Unknow ', '12 . Saturated vapor pressure(kPa, ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow'] |
Symbol: | GHS07 |
---|---|
RIDADR: | UN 2810 6.1/PG 3 |
HS_Code: | 29309070 |
Risk_Statements(EU): | R36/37/38 |
WGK_Germany: | 3 |
Personal_Protective_Equipment: | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
RTECS: | DH6839000 |
Hazard_Codes: | Xi:Irritant; |
Warning_Statement: | P261-P305 + P351 + P338 |
Safety_Statements: | H315-H319-H335 |
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