4-Bromo-2-fluorobenzyl bromide - CAS 76283-09-5

Catalog:	BB035542
Product Name:	4-Bromo-2-fluorobenzyl bromide
CAS:	76283-09-5
Synonyms:	4-bromo-1-(bromomethyl)-2-fluorobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1-(bromomethyl)-2-fluorobenzene
Description:	4-Bromo-2-fluorobenzyl bromide (CAS# 76283-09-5) is a useful research chemical.
Molecular Weight:	267.92
Molecular Formula:	C7H5Br2F
Canonical SMILES:	C1=CC(=C(C=C1Br)F)CBr
InChI:	InChI=1S/C7H5Br2F/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
InChI Key:	XMHNLZXYPAULDF-UHFFFAOYSA-N
Boiling Point:	126 °C (19 mmHg)
Melting Point:	33-36 °C
Purity:	98 %
Density:	1.923 g/cm³
Appearance:	White to light yellow crystal powder
Storage:	Store in a cool, dry place. Store in a tightly closed container. Corrosives area.
MDL:	MFCD00055467
LogP:	3.48310

Publication Number	Title	Priority Date
WO-2021081207-A1	Glp-1r modulating compounds	20191025
US-2021171499-A1	Glp-1r modulating compounds	20191025
WO-2021071837-A1	Gpr119 agonists	20191007
KR-20210036854-A	Practical method for preparation of 2-[18F]fluoro-4-boronophenylalanine	20190925
CN-112390852-A	Compound as protein degradation agent and preparation method and application thereof	20190814

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GHS Hazard Statement:	H301 (85.11%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	267.87215
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.87420
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3