2-(4-Bromophenyl)-1,3-benzoxazol-5-amine
Basic information
- CAS
54995-56-1- Standard SMILES
Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1- InChIKey
AONYSDWJNLNHHQ-UHFFFAOYSA-N- Molecular formula
- C13H9BrN2O
- Average molar mass
- 289.13 g/mol
- Monoisotopic mass
- 287.98983
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-1,3-benzoxazol-5-amine
- IUPAC
- 2-(4-bromophenyl)-1,3-benzoxazol-5-amine
- English name
- 2-(4-Bromo-phenyl)-benzooxazol-5-ylamine
- Molecular formula
- C13H9BrN2O
- Molecular weight
- 289.13
Names & synonyms
2-(4-bromophenyl)-1,3-benzoxazol-5-amine54995-56-1DTXSID70352205RefChem:251974DTXCID50303270657-469-52-(4-bromophenyl)benzo[d]oxazol-5-amine5-Benzoxazolamine, 2-(4-bromophenyl)-CHEMBL397864SCHEMBL2489776ALBB-026755BBL008049
Show more names
AKOS BB-8061ASISCHEM T31033ART-CHEM-BB B025138TIMTEC-BB SBB009750LABOTEST-BB LT00133894UKRORGSYN-BB BBV-0733072-(4-BROMOPHENYL)-5-BENZOXAZOLAMINE2-(4-Bromo-phenyl)-benzooxazol-5-ylamine[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]amine
MFCD00442543STK1084145-amino-2-(p-bromophenyl)benzoxazoleAKOS0001084332-(4-bromophenyl)benzoxazole-5-ylamineDA-28277FB134092ST012584
Database identifiers
- CAS
54995-56-1- PubChem CID
- 721071
- DTXSID
DTXSID70352205- ChEMBL
CHEMBL397864- EC Number
- 657-469-5
- Nikkaji
- J358.200K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 413 · H413-H301-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H413-H301-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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