5-Bromo-N1-methyl-1,2-benzenediamine - CAS 337915-79-4

Catalog:	BB021839
Product Name:	5-Bromo-N1-methyl-1,2-benzenediamine
CAS:	337915-79-4
Synonyms:	4-bromo-N2-methylbenzene-1,2-diamine; 4-bromo-2-N-methylbenzene-1,2-diamine

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2-N-methylbenzene-1,2-diamine
Description:	5-Bromo-N1-methyl-1,2-benzenediamine (CAS# 337915-79-4) is a useful research chemical.
Molecular Weight:	201.06
Molecular Formula:	C7H9BrN2
Canonical SMILES:	CNC1=C(C=CC(=C1)Br)N
InChI:	InChI=1S/C7H9BrN2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,9H2,1H3
InChI Key:	WQNHSCZQLLEPOM-UHFFFAOYSA-N
Boiling Point:	289 °C
Density:	1.578 g/cm³
LogP:	2.72720

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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

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.99491
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	199.99491
Rotatable Bond Count:	1
Topological Polar Surface Area:	38 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9