4-Bromophenanthrene
Basic information
- CAS
19462-79-4- Standard SMILES
Brc1cccc2ccc3ccccc3c12- InChIKey
NJESAUCSIMQRGL-UHFFFAOYSA-N- Molecular formula
- C14H9Br
- Average molar mass
- 257.12 g/mol
- Monoisotopic mass
- 255.98876
Names & identifiers
- Preferred name
- 4-Bromophenanthrene
- IUPAC
- 4-bromophenanthrene
- English name
- 4-Bromophenanthrene
- Molecular formula
- C14H9Br
- Molecular weight
- 257.13
Names & synonyms
4-Bromophenanthrene19462-79-4Phenanthrene, 4-bromo-DTXSID50305754RefChem:98211DTXCID60256884NJESAUCSIMQRGL-UHFFFAOYSA-NMFCD30188234NSC171604SCHEMBL662611AT44875NSC-171604
Show more names
NSC 1716044-bromonaphenanthrene
AS-92749SY286861
Database identifiers
- CAS
19462-79-4- PubChem CID
- 299137
- DTXSID
DTXSID50305754- Nikkaji
- J114.409J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 389.7 · 389.7±11.0 °C(Predicted)
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C14H9Br/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-9H
- InChIKey
- NJESAUCSIMQRGL-UHFFFAOYSA-N
- SMILES
- C1=C2C(C3C(C=C2)=CC=CC=3)=C(Br)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromophenanthrene is an organic compound with bromine functional groups, used in organic synthesis or luminescent materials.
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Related reactions
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Compound notes
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