Structure

3-Bromophenanthrene

CAS
715-50-4
Catalog Number
ACM715504
Category
Aryl
Molecular Weight
257.13
Molecular Formula
C14H9Br

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Specification

IUPAC Name
3-bromophenanthrene
Canonical SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)Br
InChI
InChI=1S/C14H9Br/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
InChI Key
BNGNNFQSUWVWCW-UHFFFAOYSA-N
Boiling Point
389.7 ± 11.0 ° C (predicted)
Melting Point
83 °C
Density
1.479 ± 0.06 g/mL (predicted)
Appearance
White to Orange to Green powder to crystal
Complexity
225
Covalently-Bonded Unit Count
1
Exact Mass
255.98876g/mol
Formal Charge
0
Hazard Statements
H314-H335
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
15
MDL Number
MFCD06797074
Monoisotopic Mass
255.98876g/mol
NSC Number
89103
RIDADR
UN 3077 9 / PGIII
Rotatable Bond Count
0
Symbol
GHS05
XLogP3
5.1
What is the molecular formula of 3-Bromophenanthrene?

The molecular formula of 3-Bromophenanthrene is C14H9Br.

What is the molecular weight of 3-Bromophenanthrene?

The molecular weight of 3-Bromophenanthrene is 257.12 g/mol.

What is the IUPAC Name of 3-Bromophenanthrene?

The IUPAC Name of 3-Bromophenanthrene is 3-bromophenanthrene.

What is the InChIKey of 3-Bromophenanthrene?

The InChIKey of 3-Bromophenanthrene is BNGNNFQSUWVWCW-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromophenanthrene?

The canonical SMILES of 3-Bromophenanthrene is C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)Br.

What is the CAS number of 3-Bromophenanthrene?

The CAS number of 3-Bromophenanthrene is 715-50-4.

What is the European Community (EC) Number of 3-Bromophenanthrene?

The European Community (EC) Number of 3-Bromophenanthrene is 695-586-3.

What is the DSSTox Substance ID of 3-Bromophenanthrene?

The DSSTox Substance ID of 3-Bromophenanthrene is DTXSID80221716.

What is the Nikkaji Number of 3-Bromophenanthrene?

The Nikkaji Number of 3-Bromophenanthrene is J758.111D.

Is 3-Bromophenanthrene a Canonicalized compound?

Yes, 3-Bromophenanthrene is a canonicalized compound.

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