Basic information
- CAS
147492-95-3- Standard SMILES
[C-]#[N+]Cc1ccc(OC)c(OC)c1- InChIKey
QNVIXLCXKMMQGO-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 4-(Isocyanomethyl)-1,2-dimethoxybenzene
- IUPAC
- 4-(isocyanomethyl)-1,2-dimethoxybenzene
Names & synonyms
4-(isocyanomethyl)-1,2-dimethoxybenzene147492-95-3RefChem:289125MFCD026645873,4-Dimethoxybenzyl isocyanide4-(isocyanomethyl)-1,2-dimethoxy-benzeneSCHEMBL7147683SCHEMBL31385677DTXSID8012795413,4-DIMETHOXYBENZYLISOCYANIDEAKOS001475802AT48280
Show more names
DB-002031DB-293880EN300-18288014-(Isocyanomethyl)-1,2-dimethoxybenzene, AldrichCPR
Database identifiers
- CAS
147492-95-3- PubChem CID
- 449790
- DTXSID
DTXSID801279541- EC Number
- 996-506-2
- Nikkaji
- J3.705.004K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 22.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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