Basic information
- CAS
207552-71-4- Standard SMILES
O=c1[nH]c2ccc(CCl)cc2o1- InChIKey
MYHPYPWWFFXQDY-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO2
- Average molar mass
- 183.59 g/mol
- Monoisotopic mass
- 183.0087061
Names & identifiers
- Preferred name
- 6-(Chloromethyl)-2,3-dihydro-1,3-benzoxazol-2-one
- IUPAC
- 6-(chloromethyl)-3H-1,3-benzoxazol-2-one
Names & synonyms
6-(chloromethyl)-2,3-dihydro-1,3-benzoxazol-2-one207552-71-4RefChem:539611872-165-46-(Chloromethyl)benzo[d]oxazol-2(3h)-one6-(chloromethyl)-3H-1,3-benzoxazol-2-oneSCHEMBL7766405HIA55271AKOS013400762EN300-115294
Database identifiers
- CAS
207552-71-4- PubChem CID
- 15422982
- EC Number
- 872-165-4
- Nikkaji
- J1.276.253D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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