Benzoxazole, 2-amino-4-chloro-
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Basic information
- CAS
64037-10-1- Standard SMILES
Nc1nc2c(Cl)cccc2o1- InChIKey
LMTOFAYSICBYRU-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2O
- Average molar mass
- 168.58 g/mol
- Monoisotopic mass
- 168.0090405
Names & identifiers
- Preferred name
- Benzoxazole, 2-amino-4-chloro-
- IUPAC
- 4-chloro-1,3-benzoxazol-2-amine
- English name
- 4-Chloro-2-benzoxazolamine
- Molecular formula
- C7H5ClN2O
- Molecular weight
- 168.58
Names & synonyms
64037-10-12-Amino-4-chlorobenzoxazoleBENZOXAZOLE, 2-AMINO-4-CHLORO-DTXSID30214032RefChem:328261DTXCID301365234-Chlorobenzo[d]oxazol-2-amine4-chloro-1,3-benzoxazol-2-amine4-Chloro-2-benzoxazolamine2-Benzoxazolamine, 4-chloro-chlorobenzoxazolamine4-Chlor-2-amino-benzoxazol
Show more names
SCHEMBL10984833MFCD01664217BS-29098DB-332256CS-0212792G88847F639023
Database identifiers
- CAS
64037-10-1- PubChem CID
- 46383
- DTXSID
DTXSID30214032- Nikkaji
- J67.890B
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Density
- 1.4369 · 1.4369 (rough estimate)
- refractive index
- 1.5618 · 1.5618 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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