4-Bromo-2-fluorobenzylamine Hydrochloride - CAS 147181-08-6

Catalog:	BB010173
Product Name:	4-Bromo-2-fluorobenzylamine Hydrochloride
CAS:	147181-08-6
Synonyms:	(4-bromo-2-fluorophenyl)methanamine;hydrochloride; (4-bromo-2-fluorophenyl)methanamine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	(4-bromo-2-fluorophenyl)methanamine;hydrochloride
Description:	4-Bromo-2-fluorobenzylamine Hydrochloride (CAS# 147181-08-6) is a useful research chemical.
Molecular Weight:	240.50
Molecular Formula:	C7H8BrClFN
Canonical SMILES:	C1=CC(=C(C=C1Br)F)CN.Cl
InChI:	InChI=1S/C7H7BrFN.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H
InChI Key:	RTQOFJWBJNVJEO-UHFFFAOYSA-N
Boiling Point:	280.8 °C at 760 mmHg
Appearance:	White to light yellow crystalline powder
MDL:	MFCD00143266
LogP:	3.54920

Publication Number	Title	Priority Date
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
AU-2015257540-A1	Pharmacologically active quinazolinedione derivatives	20140509
CA-2945217-A1	Pharmacologically active quinazolinedione derivatives	20140509
EP-3140301-A1	Pharmacologically active quinazolinedione derivatives	20140509
JP-2017514918-A	Pharmacologically active quinazolinedione derivatives	20140509

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GHS Hazard Statement:	H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.95127
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	238.95127
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0