4-METHOXYBENZYL ISOTHIOCYANATE
Catalog No: FT-0605831
CAS No: 3694-57-3
- Molecular Formula: 179.24
- Formula Weight: C9H9NOS
- Inchl Key: IMFQYAJJXFXVMM-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Melting_Point: | N/A |
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CAS: | 3694-57-3 |
MF: | C9H9NOS |
Flash_Point: | 132-133°C/0.7mm |
Product_Name: | 4-methoxybenzyl isothiocyanate |
Density: | 1.0872 |
FW: | 179.23900 |
Bolling_Point: | 170-175 °C (16 mmHg) |
Refractive_Index: | 1.591-1.598 |
---|---|
Flash_Point: | 132-133°C/0.7mm |
LogP: | 2.29800 |
Bolling_Point: | 170-175 °C (16 mmHg) |
FW: | 179.23900 |
PSA: | 53.68000 |
Computational_Chemistry: | ['1 . XlogP 33 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 216 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 169 ', '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'] |
MF: | C9H9NOS |
Exact_Mass: | 179.04000 |
Density: | 1.0872 |
Hazard_Class: | 6.1 |
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Risk_Statements(EU): | R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . |
RIDADR: | 2810 |
Hazard_Codes: | Xn |
HS_Code: | 2930909090 |
Safety_Statements: | S36/37/39-S26 |
Packing_Group: | III |