3-Bromo-5-nitrobenzaldehyde - CAS 355134-13-3

Name: 3-Bromo-5-nitrobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3-bromo-5-nitrobenzaldehyde
Description:	3-Bromo-5-nitrobenzaldehyde (CAS# 355134-13-3) is a useful research chemical for organic synthesis and other chemical processes. A reagent used in the bromination of deactivated Aromatics.
Molecular Weight:	230.02
Molecular Formula:	C7H4BrNO3
Canonical SMILES:	C1=C(C=C(C=C1[N+](=O)[O-])Br)C=O
InChI:	InChI=1S/C7H4BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-4H
InChI Key:	OUDCOMBHRXKPIJ-UHFFFAOYSA-N
Boiling Point:	306.9 °C at 760 mmHg
Melting Point:	101-106 °C
Purity:	98 %
Density:	1.781 g/cm³
Appearance:	White to tan powder or crystals
MDL:	MFCD00100097
LogP:	2.69300

GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.93746
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.93746
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9