2-(Chloromethyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
Basic information
- CAS
74307-97-4- Standard SMILES
CC1(C)COC(CCl)=N1- InChIKey
LVPIFYYRWKTPQY-UHFFFAOYSA-N- Molecular formula
- C6H10ClNO
- Average molar mass
- 147.6 g/mol
- Monoisotopic mass
- 147.0450916
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
- IUPAC
- 2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole
Names & synonyms
2-(chloromethyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazoleRefChem:460190860-405-074307-97-4Oxazole, 2-(chloromethyl)-4,5-dihydro-4,4-dimethyl-2-(chloromethyl)-4,4-dimethyl-5H-1,3-oxazole2-(Chloromethyl)-4,4-dimethyl-4,5-dihydrooxazoleSCHEMBL4123213DTXSID60437111AKOS006384848EN300-2001232-chloromethyl-4,5-dihydro-4,4-dimethyloxazole
Database identifiers
- CAS
74307-97-4- PubChem CID
- 10240954
- DTXSID
DTXSID60437111- EC Number
- 860-405-0
- Nikkaji
- J494.996J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 142
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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