Determine the necessary mass, volume, or concentration for preparing a solution.
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Synonyms | 4-Methoxybenzyl isothiocyanate | 3694-57-3 | 1-(Isothiocyanatomethyl)-4-methoxybenzene | 4-methoxybenzylisothiocyanate | Benzene, 1-(isothiocyanatomethyl)-4-methoxy- | MFCD00041117 | p-methoxybenzyl isothiocyanate | 2PA7V3TJK2 | CHEMBL81201 | 1-(isothiocyanatomethyl)-4-met |
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Specifications & Purity | ≥94% |
Storage Temp | Room temperature |
Shipped In | Normal |
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Pubchem Sid | 488187723 |
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Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187723 |
IUPAC Name | 1-(isothiocyanatomethyl)-4-methoxybenzene |
INCHI | InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3 |
InChi Key | IMFQYAJJXFXVMM-UHFFFAOYSA-N |
Canonical SMILES | COC1=CC=C(C=C1)CN=C=S |
Isomeric SMILES | COC1=CC=C(C=C1)CN=C=S |
PubChem CID | 123197 |
Molecular Weight | 179.24 |
Enter Lot Number to search for COA:
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Lot Number | Certificate Type | Date | Item |
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K21171100 | Certificate of Analysis | Sep 14, 2023 | M189125 |
K21171113 | Certificate of Analysis | Sep 14, 2023 | M189125 |
B2215193 | Certificate of Analysis | Feb 19, 2022 | M189125 |
C2017036 | Certificate of Analysis | Jan 12, 2022 | M189125 |
Solubility | Hydrolyzes in water. |
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Sensitivity | light & Moisture sensitive |
Pictogram(s) | GHS06, GHS05, GHS07 |
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Signal | Danger |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H314:Causes severe skin burns and eye damage H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled H301+H311+H331:Toxic if swallowed, in contact with skin or if inhaled |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P363:Wash contaminated clothing before reuse. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P361+P364:Take off immediately all contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P301+P317:IF SWALLOWED: Get medical help. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes. P316:Get emergency medical help immediately. P319:Get medical help if you feel unwell. |