3-Bromo-o-phenylenediamine - CAS 1575-36-6

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

Catalog:	BB011323
Product Name:	3-Bromo-o-phenylenediamine
CAS:	1575-36-6
Synonyms:	3-bromobenzene-1,2-diamine; 3-bromobenzene-1,2-diamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromobenzene-1,2-diamine
Description:	3-Bromo-o-phenylenediamine (CAS# 1575-36-6) is used in the preparation of isomeric bromo analogues of Benzo-1H-triazole as potential inhibitors of protein kinases.
Molecular Weight:	187.04
Molecular Formula:	C6H7BrN2
Canonical SMILES:	C1=CC(=C(C(=C1)Br)N)N
InChI:	InChI=1S/C6H7BrN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2
InChI Key:	VWYTZNPMXYCBPK-UHFFFAOYSA-N
Boiling Point:	290.4 °C at 760 mmHg
Density:	1.697 g/cm³
Appearance:	Solid
LogP:	2.77590

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Related Functional Groups

Amines and Anilines

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1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]C9H16ClN3
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[1824357-78-9]C12H15N3
2-(1-Benzyl-3-pyrazolyl)ethylamine
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[17583-40-3]C8H8N2
2-(Methylamino)benzonitrile

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:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.97926
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	185.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3