2-Bromofluorene - CAS 1133-80-8

Name: 2-Bromofluorene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-bromo-9H-fluorene
Description:	2-Bromofluorene (CAS# 1133-80-8) is used as a reagent for the preparation of dibromofluorene-labelled polystyrene by nitroxide-mediated polymerization. It is also being used in the agricultural sector as a fungicide for tomato disease control. It's carcinogenic effects on humans are currently being investigated.
Molecular Weight:	245.11
Molecular Formula:	C13H9Br
Canonical SMILES:	C1C2=CC=CC=C2C3=C1C=C(C=C3)Br
InChI:	InChI=1S/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChI Key:	FXSCJZNMWILAJO-UHFFFAOYSA-N
Boiling Point:	185 °C (135 mmHg)
Melting Point:	110-115 °C
Purity:	> 98.0 % (GC)
Density:	1.489 g/cm³
Appearance:	White to slightly yellow crystalline powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00001115
LogP:	4.02030
Vapor Pressure:	0.0000751 [mmHg]

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22139714	20120301	Thermochemical properties and phase behavior of halogenated polycyclic aromatic hydrocarbons	Environmental toxicology and chemistry
21879097	20111001	Occurrence of chlorinated and brominated polycyclic aromatic hydrocarbons in surface sediments in Shenzhen, South China and its relationship to urbanization	Journal of environmental monitoring : JEM
12296705	20021002	Ter(9,9-diarylfluorene)s: highly efficient blue emitter with promising electrochemical and thermal stability	Journal of the American Chemical Society

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.98876
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.98876
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5