4-Bromopyrrole-2-carbaldehyde - CAS 931-33-9

Name: 4-Bromopyrrole-2-carbaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040784
Product Name:	4-Bromopyrrole-2-carbaldehyde
CAS:	931-33-9
Synonyms:	4-bromo-1H-pyrrole-2-carboxaldehyde; 4-bromo-1H-pyrrole-2-carbaldehyde

Technical Data

IUPAC Name:	4-bromo-1H-pyrrole-2-carbaldehyde
Description:	Twenty-one halo- and cyanopyrroles related to the trail pheromone of A. texana, Methyl 4-Methylpyrrole-2-carboxylate [34402-78-3], were prepared and tested by a faster and more sensitive bioassay than was previously available. Methyl 4-Chloropyrrole-2-carboxylate [1194-96-3] and Methyl 4-bromopyrrole-2-carboxylate appeared to be as active as the first one. Responsiveness of the ants in descending order to these compounds based on the constituent in the number two position, was: esters, methyl ketones, aldehydes.
Molecular Weight:	174.00
Molecular Formula:	C5H4BrNO
Canonical SMILES:	C1=C(NC=C1Br)C=O
InChI:	InChI=1S/C5H4BrNO/c6-4-1-5(3-8)7-2-4/h1-3,7H
InChI Key:	RFQYNGQAZZSGFM-UHFFFAOYSA-N
LogP:	1.58970

GHS Hazard Statement:	H302 (100%): 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

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Complexity:	96.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.94763
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.94763
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2