1-(2-Bromoethyl)-1H-pyrrole - CAS 78358-86-8

Catalog:	BB036156
Product Name:	1-(2-Bromoethyl)-1H-pyrrole
CAS:	78358-86-8
Synonyms:	1-(2-bromoethyl)pyrrole

Technical Data

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Computed Properties

IUPAC Name:	1-(2-bromoethyl)pyrrole
Description:	1-(2-Bromoethyl)-1H-pyrrole (CAS# 78358-86-8) is a useful research chemical.
Molecular Weight:	174.04
Molecular Formula:	C6H8BrN
Canonical SMILES:	C1=CN(C=C1)CCBr
InChI:	InChI=1S/C6H8BrN/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6H2
InChI Key:	QBAVHEZVBGASER-UHFFFAOYSA-N
Boiling Point:	203.108 °C at 760 mmHg
Purity:	> 95.0 % (GC)
Density:	1.47 g/cm³
Appearance:	Light yellow to brown liquid
LogP:	1.88300

Publication Number	Title	Priority Date
KR-20170094584-A	Oral pharmaceutical composition for prevention or treatment of immune disease and metabolic disease comprising rebamipide prodrug	20160211
WO-2017138717-A1	Pharmaceutical composition comprising rebamipide prodrugs for oral administration for preventing or treating immune disease and metabolic disease	20160211
CA-3015702-A1	6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same	20150902
EP-3344248-A1	6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same	20150902
US-10246436-B2	6-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same	20150902

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Related Functional Groups

Pyrroles

[1263208-95-2]
Ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
[1290536-79-6]
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[2973-17-3]
N-Allylmaleimide
[17106-15-9]
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
[73286-71-2]
N-Boc-2,3-dihydro-1H-pyrrole
[5176-27-2]
N-Boc-pyrrole

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	59.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.98401
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.98401
Rotatable Bond Count:	2
Topological Polar Surface Area:	4.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4