4-(3-Isocyanatobenzyl)morpholine
Basic information
- CAS
166740-66-5- Standard SMILES
O=C=Nc1cccc(CN2CCOCC2)c1- InChIKey
XJXYHQOMLIRLFC-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- 4-(3-Isocyanatobenzyl)morpholine
- IUPAC
- 4-[(3-isocyanatophenyl)methyl]morpholine
- English name
- 4-(3-Isocyanatobenzyl)morpholine
- Molecular formula
- C12H14N2O2
- Molecular weight
- 218.25
Names & synonyms
4-(3-isocyanatobenzyl)morpholine166740-66-5DTXSID90428734RefChem:287661DTXCID20379568694-861-54-[(3-isocyanatophenyl)methyl]morpholineSCHEMBL61747SBB0956043-(morpholin-4-ylmethyl)benzenisocyanateAS-85001DB-064622
Show more names
Morpholine, 4-[(3-isocyanatophenyl)methyl]-4-(3-Isocyanatobenzyl)Morpholine dihydrochloride, 95%
Database identifiers
- CAS
166740-66-5- PubChem CID
- 7537522
- DTXSID
DTXSID90428734- EC Number
- 694-861-5
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 130 °C · 130 °C
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 6.33 · 6.33±0.10(Predicted)
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H334-H314-H332
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P285-P304+P341-P342+P311-P501
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2206 · 2206
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P342+P316, P362+P364, P363, P403, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 2206
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS05
- safety_code
- 26-36/37/39
- Hazard statements
- H302-H312-H334-H314-H332
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P285-P304+P341-P342+P311-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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