Basic information
- CAS
52112-66-0- Standard SMILES
Nc1nc2ccc(Br)cc2o1- InChIKey
APUYIVHTTCCVMF-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2O
- Average molar mass
- 213.03 g/mol
- Monoisotopic mass
- 211.95853
Names & identifiers
- Preferred name
- Benzoxazole, 2-amino-6-bromo-
- IUPAC
- 6-bromo-1,3-benzoxazol-2-amine
- English name
- 6-Bromobenzoxazole
- Molecular formula
- C7H5BrN2O
- Molecular weight
- 213.03
Names & synonyms
2-Amino-6-bromobenzoxazole52112-66-06-bromo-2-BenzoxazolamineBENZOXAZOLE, 2-AMINO-6-BROMO-NSC 26185V824KCW5W2BRN 0127765NSC-26185DTXSID402001234-27-00-04822 (Beilstein Handbook Reference)RefChem:199780DTXCID40122614
Show more names
6-BROMOBENZO[D]OXAZOLE6-Bromobenzoxazole2-amino-6-bromo-benzoxazol6-Brom-benzoxazol-2-ylamin6-BROMO-2-AMINO BENZOXAZOLE
6-bromobenzo[d]oxazol-2-amine6-bromo-1,3-benzoxazol-2-amine2-Benzoxazolamine, 6-bromo-MFCD01664214MLS0026390986-Bromo-benzooxazol-2-ylamineNSC261856-bromo-2-aminobenzoxazole
Database identifiers
- CAS
52112-66-0- PubChem CID
- 40235
- DTXSID
DTXSID40200123- ChEMBL
CHEMBL2139833- UNII
- V824KCW5W2
- EC Number
- 885-148-1
- Nikkaji
- J67.887B
Properties
Computed structural properties
- 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 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1.08 · 1.08±0.30(Predicted)
- Appearance
- White to yellow Solid
- FDA UNII
- 824 KCW5W2 · V824KCW5W2
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
- Safety Statements
- 26 · 26
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
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers75 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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