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1,2-Dibromo-4-fluorobenzene

1,2-Dibromo-4-fluorobenzene - CAS 2369-37-1

Catalog:	BB018154
Product Name:	1,2-Dibromo-4-fluorobenzene
CAS:	2369-37-1
Synonyms:	1,2-dibromo-4-fluorobenzene; 1,2-dibromo-4-fluorobenzene

Technical Data

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Computed Properties

IUPAC Name:	1,2-dibromo-4-fluorobenzene
Description:	1,2-Dibromo-4-fluorobenzene (CAS# 2369-37-1) is a useful research chemical.
Molecular Weight:	253.89
Molecular Formula:	C6H3Br2F
Canonical SMILES:	C1=CC(=C(C=C1F)Br)Br
InChI:	InChI=1S/C6H3Br2F/c7-5-2-1-4(9)3-6(5)8/h1-3H
InChI Key:	RNTGKISRXVFIIP-UHFFFAOYSA-N
Boiling Point:	219.7 °C at 760 mmHg
Density:	2.014 g/cm³
MDL:	MFCD00070780
LogP:	3.35070

Publication Number	Title	Priority Date
CN-112430234-A	Novel KRAS G12C protein inhibitor and preparation method and application thereof	20190826
CN-109867690-A	Benzodiazepine boron heterocyclic pentylene compound and Organic Light Emitting Diode component	20171201
TW-201925210-A	Benzodiazepine boron heterocyclic pentadiene compound and organic light emitting diode element	20171201
TW-I637960-B	Benzodiazepine boron heterocyclic pentadiene compound and organic light emitting diode element	20171201
US-2019173014-A1	Benzodiazaborole derivatives and organic light-emitting diodes using the same	20171201

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.85650
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	251.85855
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4