(2-Methoxyphenoxy)acetonitrile
Basic information
- CAS
6781-29-9- Standard SMILES
COc1ccccc1OCC#N- InChIKey
RUUDKUXGUIMMAB-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- (2-Methoxyphenoxy)acetonitrile
- IUPAC
- 2-(2-methoxyphenoxy)acetonitrile
- English name
- (2-Methoxyphenoxy)acetonitrile
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
6781-29-9(2-Methoxyphenoxy)acetonitrileDTXSID10371571RefChem:206122DTXCID703226052-(2-methoxyphenoxy)acetonitrileMFCD017654212-(2-Methoxyphenoxy)-acetonitrileF3139-27832-(2-methoxyphenoxy)ethanenitrile2-(2-methoxy-phenoxy)acetonitrile2-Cyanomethoxyanisole
Show more names
Acetonitrile, 2-(2-methoxyphenoxy)-
o-methoxyphenoxyacetonitrile(o-methoxyphenoxy)acetonitrileSCHEMBL1553402RUUDKUXGUIMMAB-UHFFFAOYSA-NSMSSF-0536008SBB055161AKOS000189148FM70485
Database identifiers
- CAS
6781-29-9- PubChem CID
- 2736747
- DTXSID
DTXSID10371571
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 72 · 72/15mm
- Density
- 1.107 · 1.107±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 301 · H301-H311-H317-H332-H334
- Precautionary statements
- 261 · P261-P280-P285-P302+P352-P321-P501a
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-42/43
- Safety Statements
- 26 · 26-36
- Hazard Note
- Irritant
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 20/21/22-42/43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H301-H311-H317-H332-H334
- Precautionary statements
- P261-P280-P285-P302+P352-P321-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
10 records
Compound notes
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