5-Chloro-2-(chloromethyl)-1,3-benzoxazole
Basic information
- CAS
63842-22-8- Standard SMILES
ClCc1nc2cc(Cl)ccc2o1- InChIKey
SMGVJNOYBXYDFB-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NO
- Average molar mass
- 202.03 g/mol
- Monoisotopic mass
- 200.9748192
Names & identifiers
- Preferred name
- 5-Chloro-2-(chloromethyl)-1,3-benzoxazole
- IUPAC
- 5-chloro-2-(chloromethyl)-1,3-benzoxazole
- English name
- 5-Chloro-2-(chloromethyl)-1,3-benzoxazole
- Molecular formula
- C8H5Cl2NO
- Molecular weight
- 202.04
Names & synonyms
63842-22-85-chloro-2-(chloromethyl)-1,3-benzoxazoleBenzoxazole, 5-chloro-2-(chloromethyl)-DTXSID60328015RefChem:534443DTXCID30279126976-358-55-Chloro-2-(chloromethyl)benzo[d]oxazole5-chloro-2-(chloromethyl)benzoxazoleMFCD05663796NSC715266SCHEMBL4285418
Show more names
5-Chloro-2-chloromethyl-benzooxazole
CHEMBL1977495SCHEMBL30612632SMGVJNOYBXYDFB-UHFFFAOYSA-NALBB-003980AC6524SBB018530STK502831AKOS000164142
Database identifiers
- CAS
63842-22-8- PubChem CID
- 401571
- DTXSID
DTXSID60328015- ChEMBL
CHEMBL1977495- EC Number
- 976-358-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 52 · 52-55°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- 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
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%)
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Suppliers
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Related reactions
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Compound notes
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