2-Bromo-4,6-dichloroaniline - CAS 697-86-9

Catalog:	BB033974
Product Name:	2-Bromo-4,6-dichloroaniline
CAS:	697-86-9
Synonyms:	2-bromo-4,6-dichloroaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4,6-dichloroaniline
Description:	2-Bromo-4,6-dichloroaniline (CAS# 697-86-9) is a useful research chemical.
Molecular Weight:	240.91
Molecular Formula:	C6H4BrCl2N
Canonical SMILES:	C1=C(C=C(C(=C1Cl)N)Br)Cl
InChI:	InChI=1S/C6H4BrCl2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
InChI Key:	DTPADCOGQUOGHT-UHFFFAOYSA-N
Boiling Point:	273 ℃ at 760 mmHg
Melting Point:	81-83 ℃ (lit.)
Purity:	98 %
Density:	1.827 g/cm³
Appearance:	Pinkish to light brown crystalline powder
MDL:	MFCD00040936
LogP:	3.91930

Publication Number	Title	Priority Date
WO-2020086504-A1	Biaryl derivative	20181023
TW-202030181-A	Biaryl derivative	20181023
CN-112912139-A	Biaryl derivatives	20181023
EP-3870287-A1	Biaryl derivative	20181023
KR-20210080416-A	Biaryl derivatives	20181023

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[7492-88-8]
3-piperidinecarbonitrile
[1129-37-9]
4-Nitrobenzaldehyde oxime

GHS Hazard Statement:	H302 (11.63%): 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

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.89042
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.89042
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8