3-(Phenoxymethyl)aniline
Basic information
- CAS
17399-32-5- Standard SMILES
Nc1cccc(COc2ccccc2)c1- InChIKey
FSQPEMRQTZGIRF-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
Names & identifiers
- Preferred name
- 3-(Phenoxymethyl)aniline
- IUPAC
- 3-(phenoxymethyl)aniline
- English name
- 3-(Phenoxymethyl)aniline
- Molecular formula
- C13H13NO
- Molecular weight
- 199.25
Names & synonyms
3-(phenoxymethyl)aniline93189-16-3benzenamine, 3-(phenoxymethyl)-RefChem:275816664-155-117399-32-5InChI=1/C13H13NO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10,14HMFCD06804492A1CUX3-(phenoxymethyl)phenylamineSCHEMBL631673orb3031099
Show more names
alpha-Phenoxy-m-toluidine3-(Phenoxymethyl)benzenamine
SCHEMBL2168629SCHEMBL2168633SCHEMBL31114416Fr12910SBB092483AKOS000152388AS-9268DA-00688
Database identifiers
- CAS
17399-32-5、93189-16-3- PubChem CID
- 427435
- EC Number
- 664-155-1、983-031-0
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 45 °C · 45 °C
- Boiling point
- 357 ℃ · 357℃
- Density
- 1.129 · 1.129
- Flash point
- 180 ℃ · 180℃
- form
- low melting solid
- pka
- 4.32 · 4.32±0.10(Predicted)
- color
- Pale brown
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H335-H301+H311+H331-H315
- Precautionary statements
- 261 · P261-P271-P280
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 22 · 22-26-36/37/39
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (100%)
Safety data
- hs_code
- 2921490090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 22-26-36/37/39
- Hazard statements
- H319-H335-H301+H311+H331-H315
- Precautionary statements
- P261-P271-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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