1,10-Phenanthroline, 5-bromo-
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Basic information
- CAS
40000-20-2- Standard SMILES
Brc1cc2cccnc2c2ncccc12- InChIKey
GWKGPQCKIBRXGW-UHFFFAOYSA-N- Molecular formula
- C12H7BrN2
- Average molar mass
- 259.1 g/mol
- Monoisotopic mass
- 257.97926
Names & identifiers
- Preferred name
- 1,10-Phenanthroline, 5-bromo-
- IUPAC
- 5-bromo-1,10-phenanthroline
- English name
- 5-bromo-1,10-phenanthroline
- Molecular formula
- C12H7BrN2
- Molecular weight
- 259.1
Names & synonyms
5-Bromo-1,10-phenanthroline1,10-Phenanthroline, 5-bromo-EINECS 254-742-7DTXSID00885793RefChem:71163DTXCID701025155254-742-7GWKGPQCKIBRXGW-UHFFFAOYSA-N40000-20-2MFCD00046903Bromo-1,10-phenanthrolineSCHEMBL504434
Show more names
FFCRMA-4275-Bromo-1,1-phenanthrolineN-phenyl-1,10-phenanthrolin-5-amine5-bromo-1,10-phenanthroline 40000-20-2 CAS NO.40000-20-2
SMSSF-0625122AKOS015899695CS-W004584DS-6619AMS_CNC_ID-1211114456SY069240DB-050433B5567
Database identifiers
- CAS
40000-20-2- PubChem CID
- 148335
- DTXSID
DTXSID00885793- EC Number
- 254-742-7
- Nikkaji
- J236.164G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 119 °C · 119°C(lit.)
- Boiling point
- 417.6 · 417.6±25.0 °C(Predicted)
- Density
- 1.616 · 1.616
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 3.98 · 3.98±0.10(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C12H7BrN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
- InChIKey
- GWKGPQCKIBRXGW-UHFFFAOYSA-N
- SMILES
- N1C2C(=C(Br)C=C3C=2N=CC=C3)C=CC=1
- CAS DataBase Reference
- 40000 · 40000-20-2
- EPA Substance Registry System
- 1 · 1,10-Phenanthroline, 5-bromo- (40000-20-2)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
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]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, 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.
Safety data
- tsca
- TSCA listed
- hs_code
- 2933.99.8290
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,10-Phenanthroline, 5-bromo-: INACTIVE
Applications
Uses5-bromo-1,10-phenanthroline can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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