5-Bromo-1,3-benzoxazol-2-amine
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Basic information
- CAS
64037-07-6- Standard SMILES
Nc1nc2cc(Br)ccc2o1- InChIKey
HMRSJGDFTOUVBW-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2O
- Average molar mass
- 213.03 g/mol
- Monoisotopic mass
- 211.95853
Names & identifiers
- Preferred name
- 5-Bromo-1,3-benzoxazol-2-amine
- IUPAC
- 5-bromo-1,3-benzoxazol-2-amine
- English name
- 5-BROMOBENZO[D]OXAZOL-2-AMINE
- Molecular formula
- C7H5BrN2O
- Molecular weight
- 213.03
Names & synonyms
5-bromo-1,3-benzoxazol-2-amineRefChem:532693877-974-65-bromobenzo[d]oxazol-2-amine64037-07-62-Amino-5-bromobenzoxazole2-Benzoxazolamine, 5-bromo-5-Bromo-2-benzoxazolamineMFCD01664213BENZOXAZOLE, 2-AMINO-5-BROMO-MLS002639030SCHEMBL7897748
Show more names
EOS-605012-amino-5-bromo-benzoxazol5-BROMO-2-BENZO[D]OXAZOLAMINE5-bromobenzo[b]oxazol-2-amine15-BROMOBENZO[D]OXAZOL-2-AMINE
DTXSID00214029HMS3093F21AS-18471SMR001548486SY013293NSC24982AM8041865-bromanyl-1,3-benzoxazol
Database identifiers
- CAS
64037-07-6- PubChem CID
- 46380
- DTXSID
DTXSID00214029- ChEMBL
CHEMBL1865566- EC Number
- 877-974-6
- Nikkaji
- J67.886D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- 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
- Boiling point
- 340.4 · 340.4±34.0 °C(Predicted)
- Density
- 1.6569 · 1.6569 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 0.73 · 0.73±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- 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
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses5-Bromobenzo[D]oxazol-2-amine is a heterocyclic derivative and can be used as an intermediate in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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