4-Bromo-2-hydroxybenzaldehyde - CAS 22532-62-3

Catalog:	BB017652
Product Name:	4-Bromo-2-hydroxybenzaldehyde
CAS:	22532-62-3
Synonyms:	4-bromo-2-hydroxybenzaldehyde

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Computed Properties

IUPAC Name:	4-bromo-2-hydroxybenzaldehyde
Description:	4-Bromo-2-hydroxybenzaldehyde (CAS# 22532-62-3) is a substituted salicylaldehyde used in the synthesis of BIIB042, a γ-secretase modulator.
Molecular Weight:	201.02
Molecular Formula:	C7H5BrO2
Canonical SMILES:	C1=CC(=C(C=C1Br)O)C=O
InChI:	InChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H
InChI Key:	HXTWKHXDFATMSP-UHFFFAOYSA-N
Boiling Point:	256.2 °C at 760 mmHg
Melting Point:	50-54 °C
Purity:	95 %
Density:	1.737 g/cm³
MDL:	MFCD06252606
LogP:	1.96720

Publication Number	Title	Priority Date
CN-113214219-A	Oseltamivir amino derivative and preparation method and application thereof	20210506
CN-112939916-A	Method for synthesizing coumarin-3-carboxylic acid compounds by one-pot two-step method	20210317
CN-113024499-A	Green synthesis method of coumarin-3-carboxylic acid compounds	20210317
CN-113024540-A	Preparation method and application of nonlinear compound with D-pi-A structure	20210311
CN-111559990-A	Micromolecular oxathiazine derivative and application thereof	20200529

PMID	Publication Date	Title	Journal
22968676	20121107	Synthesis of cyclic polylactide catalysed by bis(salicylaldiminato)tin(II) complexes	Dalton transactions (Cambridge, England : 2003)

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GHS Hazard Statement:	H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.94729
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.94729
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3