2-Methoxy-2-(2-naphthyl)acetonitrile
Basic information
- CAS
118736-08-6- Standard SMILES
COC(C#N)c1ccc2ccccc2c1- InChIKey
JDVRUILJVSKUFH-UHFFFAOYSA-N- Molecular formula
- C13H11NO
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.08406397
Names & identifiers
- Preferred name
- 2-Methoxy-2-(2-naphthyl)acetonitrile
- IUPAC
- 2-methoxy-2-naphthalen-2-ylacetonitrile
- English name
- 2-Methoxy-2-(2-naphthyl)acetonitrile
- Molecular formula
- C13H11NO
- Molecular weight
- 197.23
Names & synonyms
118736-08-62-Methoxy-2-(2-naphthyl)acetonitrileDTXSID70435628RefChem:262446DTXCID20386454635-015-72-Methoxy-2-(naphthalen-2-yl)acetonitrile2-Methoxy-2-(2-naphthyl)ethanenitrile2-methoxy-2-naphthalen-2-ylacetonitrileMFCD08276992Methoxy(2-phthyl)acetonitrileorb2567251
Show more names
α-methoxy-2-naphthaleneacetonitrile2-Naphthaleneacetonitrile, α-methoxy-
SCHEMBL6753377HY-D0131Methoxy(naphthalen-2-yl)acetonitrile2-Methoxy-2-(2-phthyl)ethanenitrileAKOS014320207DB-228150CS-0010041T85416
Database identifiers
- CAS
118736-08-6- PubChem CID
- 10104166
- DTXSID
DTXSID70435628- EC Number
- 635-015-7
- Nikkaji
- J1.764.965E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 47 · 47-48 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 325.6 · 325.6±30.0 °C(Predicted)
- Density
- 1.137 · 1.137±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273
- Hazard Codes
- N
- Risk Statements
- 50 · 50
- Safety Statements
- 61 · 61
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 2 · 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- wgk
- 2
- ridadr
- UN 3077 9/PG 3
- risk_code
- 50
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 61
- Hazard statements
- H400
- Precautionary statements
- P273
Chemistry & industry
Applications
Uses2-Methoxy-2-(2-naphthyl)acetonitrile (cas# 118736-08-6) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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