Basic information
- CAS
23163-84-0- Standard SMILES
CCOc1ccccc1N=C=S- InChIKey
MAHMRCJOZYLGOW-UHFFFAOYSA-N- Molecular formula
- C9H9NOS
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.04048491
Names & identifiers
- Preferred name
- o-Ethoxyphenyl isothiocyanate
- IUPAC
- 1-ethoxy-2-isothiocyanatobenzene
- English name
- 2-ETHOXYPHENYL ISOTHIOCYANATE
- Molecular formula
- C9H9NOS
- Molecular weight
- 179.24
Names & synonyms
23163-84-01-Ethoxy-2-isothiocyanatobenzeneo-Ethoxyphenyl isothiocyanateEINECS 245-468-9DTXSID20177743RefChem:855249DTXCID80100234245-468-92-Ethoxyphenyl isothiocyanate2-EthoxyphenylisothiocyanateBenzene, 1-ethoxy-2-isothiocyanato-1-Ethoxy-2-isothiocyanato-benzene
Show more names
AKOS B016330ART-CHEM-BB B0163302-Isothiocyanatophenetol2-Ethoxyphenylisothiocyanate97%2-Ethoxyphenyl isothiocyate, 99%2-Ethethoxyphenyl isothiocyanate2-Ethoxyphenyl isothiocyanate 97%
MFCD000467932-ethoxybenzenisothiocyanateethoxyphenyl isothiocyanateZWW26FW6GWSCHEMBL39765691-Ethoxy-2-isothiocyanatobenzene #YAA16384SBB017400
Database identifiers
- CAS
23163-84-0- PubChem CID
- 123407
- DTXSID
DTXSID20177743- UNII
- ZWW26FW6GW
- EC Number
- 245-468-9
- Nikkaji
- J318.419F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 223 °C · 223 °C
- Density
- 1.14 · 1.14
- storage temp.
- Keep Cold
- Specific Gravity
- 1.14 · 1.14
- Appearance
- Colorless to light yellow Liquid
- Sensitive
- Moisture Sensitive/Lachrymatory
- CAS DataBase Reference
- 23163 · 23163-84-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 271 · P271-P280
- Hazard Codes
- C,T,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38-36
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Toxic/Corrosive/Lachrymatory/Moisture Sensitive
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2930909899
- risk_code
- 20/21/22-36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- C,T,Xi
- hazard_note
- Toxic/Corrosive/Lachrymatory/Moisture Sensitive
- safety_code
- 26-36/37/39
- hazard_class
- KEEP COLD, LACHRYMATOR, TOXIC
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Applications
Uses2-Ethoxyphenyl isothiocyanate is an isothiocyanate compound, an important functional substance in natural products and pharmaceutical active compounds. Isothiocyanates are a class of compounds with the general formula RN=C=S, and are important intermediates in organic synthesis, with wide applications in mineral processing, pharmaceuticals, pesticides, and dyes.
Upstream & downstream products
Upstream raw materials
Suppliers47 total
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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