1-[(1R)-1-Isocyanatoethyl]-4-methoxybenzene
Completing data — refresh the page later to see the latest
Basic information
- CAS
745783-82-8- Standard SMILES
COc1ccc([C@@H](C)N=C=O)cc1- InChIKey
WTNKKJUXEYSETC-MRVPVSSYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 1-[(1R)-1-Isocyanatoethyl]-4-methoxybenzene
- IUPAC
- 1-[(1R)-1-isocyanatoethyl]-4-methoxybenzene
- English name
- Benzene, 1-[(1R)-1-isocyanatoethyl]-4-methoxy- (9CI)
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
745783-82-81-[(1R)-1-ISOCYANATOETHYL]-4-METHOXYBENZENE1-((1R)-1-Isocyanatoethyl)-4-methoxybenzeneRefChem:221992(R)-(+)-1-(4-Methoxyphenyl)ethyl isocyanate(R)-1-(1-Isocyanatoethyl)-4-methoxybenzeneSCHEMBL2891186DTXSID301263278MFCD05664084(1R)-1-(4-methoxyphenyl)ethanisocyanateDB-273856ST50408509
Show more names
Benzene, 1-[(1R)-1-isocyanatoethyl]-4-methoxy- (9CI)
1-[(1R)-1-isocyanatoethyl]-4-methoxy-benzeneF099849BENZENE, 1-[(1R)-1-ISOCYANATOETHYL]-4-METHOXY-
Database identifiers
- CAS
745783-82-8- PubChem CID
- 7018271
- DTXSID
DTXSID301263278- EC Number
- 677-410-7
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- refractive index
- 1.521 · 1.5210
- Sensitive
- Moisture Sensitive
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H334-H335
- Precautionary statements
- 261 · P261-P280a-P284-P305+P351+P338-P405-P501a
- HazardClass
- 6.1 · 6.1
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 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (20%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_class
- 6.1
- Hazard statements
- H302-H315-H319-H332-H334-H335
- Precautionary statements
- P261-P280a-P284-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…