N-(tert-Butoxycarbonyl)-2-bromoaniline - CAS 78839-75-5

Catalog:	BB036252
Product Name:	N-(tert-Butoxycarbonyl)-2-bromoaniline
CAS:	78839-75-5
Synonyms:	tert-butyl N-(2-bromophenyl)carbamate

Technical Data

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Patents

Computed Properties

IUPAC Name:	tert-butyl N-(2-bromophenyl)carbamate
Description:	N-(tert-Butoxycarbonyl)-2-bromoaniline (CAS# 78839-75-5) is a useful research chemical.
Molecular Weight:	272.14
Molecular Formula:	C11H14BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CC=CC=C1Br
InChI:	InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)
InChI Key:	UQBGKDLSIIHUEZ-UHFFFAOYSA-N
Boiling Point:	110 °C / 0.3 mmHg (lit.)
Density:	1.342 g/cm³
MDL:	MFCD01006614
LogP:	3.86910

Publication Number	Title	Priority Date
JP-2019042708-A	Catalyst composition for producing aromatic carboxylic acid or ester thereof from carbon dioxide and aromatic halogen compound, and method for producing aromatic carboxylic acid or ester thereof using the catalyst composition	20170906
EP-3133054-A1	Method for the preparation of symmetrical pincer ligands from the group of m terphenyl compounds	20150821
EP-3133054-B1	Method for the preparation of symmetrical pincer ligands from the group of m terphenyl compounds	20150821
US-2017050918-A1	Process for preparing symmetric pincer ligands from the group of the m-terphenyl compounds	20150821
JP-2016505598-A	Method for preparing methyl acetate	20140128

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Related Functional Groups

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Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[5724-76-5]
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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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.02079
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	271.02079
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2