2-Chloro-6-fluoro-1,3-benzoxazole
Basic information
- CAS
153403-53-3- Standard SMILES
Fc1ccc2nc(Cl)oc2c1- InChIKey
SABSNTHFVVOJMX-UHFFFAOYSA-N- Molecular formula
- C7H3ClFNO
- Average molar mass
- 171.55 g/mol
- Monoisotopic mass
- 170.98871962
Names & identifiers
- Preferred name
- 2-Chloro-6-fluoro-1,3-benzoxazole
- IUPAC
- 2-chloro-6-fluoro-1,3-benzoxazole
- English name
- 2-Chloro-6-fluorobenzo[d]oxazole
- Molecular formula
- C7H3ClFNO
- Molecular weight
- 171.56
Names & synonyms
153403-53-32-chloro-6-fluoro-1,3-benzoxazole2-chloro-6-fluorobenzoxazoleDTXSID80563608RefChem:469607DTXCID50514384814-146-52-Chloro-6-fluorobenzo[d]oxazoleMFCD16250625SCHEMBL3950849SABSNTHFVVOJMX-UHFFFAOYSA-NXH0536
Show more names
2-Chloro-6-fluoro-benzooxazoleBenzoxazole, 2-chloro-6-fluoro-
AKOS012987209FK-0709SY112662DB-355911EN300-330996F079698F2147-7909
Database identifiers
- CAS
153403-53-3- PubChem CID
- 14748832
- DTXSID
DTXSID80563608- EC Number
- 814-146-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 206.9 · 206.9±13.0 °C(Predicted)
- Density
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- -0.83 · -0.83±0.30(Predicted)
- form
- fused solid
- color
- Dark brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- HS Code
- 2934999090 · 2934999090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
3 records
Compound notes
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