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4-Fluoro-2-nitrobenzyl bromide

4-Fluoro-2-nitrobenzyl bromide - CAS 76437-44-0

Catalog:	BB035573
Product Name:	4-Fluoro-2-nitrobenzyl bromide
CAS:	76437-44-0
Synonyms:	1-(bromomethyl)-4-fluoro-2-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(bromomethyl)-4-fluoro-2-nitrobenzene
Description:	4-Fluoro-2-nitrobenzyl bromide (CAS# 76437-44-0) is a useful research chemical.
Molecular Weight:	234.02
Molecular Formula:	C7H5BrFNO2
Canonical SMILES:	C1=CC(=C(C=C1F)[N+](=O)[O-])CBr
InChI:	InChI=1S/C7H5BrFNO2/c8-4-5-1-2-6(9)3-7(5)10(11)12/h1-3H,4H2
InChI Key:	NBRNHHKYVFAXCZ-UHFFFAOYSA-N
Boiling Point:	280.767 °C at 760 mmHg
Purity:	95 %
Density:	1.734 g/cm³
MDL:	MFCD07779495
LogP:	3.15200

Publication Number	Title	Priority Date
AU-2018205258-A1	Methods for implanting and reversing stimuli-responsive implants	20170105
CA-3053451-A1	Methods for implanting and reversing stimuli-responsive implants	20170105
EP-3565484-A1	Methods for implanting and reversing stimuli-responsive implants	20170105
US-2018185096-A1	Methods for implanting and reversing stimuli-responsive implants	20170105
US-2019038454-A1	Long-lasting and degradable implant compositions	20170105

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Related Functional Groups

Halides

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Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
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[55877-31-1]
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[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.94877
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.94877
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4