5,6-difluorobenzo[d]oxazol-2(3H)-one

HCID 11535637
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Basic information

CAS
871367-13-4
Standard SMILES
O=c1[nH]c2cc(F)c(F)cc2o1
InChIKey
FHIXRLXLYMWKKM-UHFFFAOYSA-N
Molecular formula
C7H3F2NO2
Average molar mass
171.1 g/mol
Monoisotopic mass
171.01318466

Names & identifiers

Preferred name
5,6-difluorobenzo[d]oxazol-2(3H)-one
IUPAC
5,6-difluoro-3H-1,3-benzoxazol-2-one

Names & synonyms

5,6-difluorobenzo[d]oxazol-2(3H)-one871367-13-45,6-difluoro-3H-benzooxazol-2-oneSCHEMBL2549381FHIXRLXLYMWKKM-UHFFFAOYSA-N5,6-difluoro-3H-benzoxazol-2-one

Database identifiers

CAS
871367-13-4
PubChem CID
11535637
EC Number
118-781-2

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
12

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Related reactions

3 records
New reaction record

Compound notes

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