2-Bromo-6-fluorobenzaldehyde - CAS 360575-28-6

Name: 2-Bromo-6-fluorobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-bromo-6-fluorobenzaldehyde
Description:	2-Bromo-6-fluorobenzaldehyde (CAS# 360575-28-6) is used as a reagent in the synthesis of novel 2-carbonylbenzo[b]thiophene 1,1-dioxides as potent inhibitors of STAT3 signaling pathway. 2-Bromo-6-fluorobenzaldehyde is also used in the preparation of 1-Cyano-6-(methylsulfonyl)-7-nitro-9H-xanthen-9-one (C981885) which is an impurity of the herbicide Mesotrione (M225765).
Molecular Weight:	203.01
Molecular Formula:	C7H4BrFO
Canonical SMILES:	C1=CC(=C(C(=C1)Br)C=O)F
InChI:	InChI=1S/C7H4BrFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChI Key:	PJNILWKRAKKEQM-UHFFFAOYSA-N
Boiling Point:	228.49 °C at 760 mmHg
Melting Point:	45-48 °C
Purity:	98 %
Density:	1.671 /cm³ g/cm³
MDL:	MFCD03407341
LogP:	2.40070

GHS Hazard Statement:	H302 (97.67%): 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

Publication Number	Title	Priority Date
CN-111825622-A	Method for preparing 2-pyrimidone derivative by oxidative dehydrogenation aromatization	20200710
US-2021299100-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
WO-2021186324-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
CN-111004211-A	Synthetic method of brexpiprazole intermediate 4-bromobenzo [ b ] thiophene	20191229
CN-111004211-B	Synthetic method of brexpiprazole intermediate 4-bromobenzo [ b ] thiophene	20191229

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.94296
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.94296
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2