3,4-Dibromoaniline

3,4-Dibromoaniline · Benzenamine, 3,4-dibromo- · 3,4-DIBROMOANILINE ISO 9001：2015 REACH

Identifiers & Physical Properties

CAS No.	615-55-4
Molecular formula	C6H5Br2N
Average molar mass	250.92 g/mol
Monoisotopic mass	248.87887336 g/mol
SMILES	Nc1ccc(Br)c(Br)c1
InChIKey	QFTJOYLPELHHCO-UHFFFAOYSA-N
PubChem CID	521981
EC No.	612-170-9
DTXSID	DTXSID70334809

XLogP	2.6
Topological polar surface area	26
Hydrogen bond donors	1
Hydrogen bond acceptors	1
Rotatable bonds	0
Heavy atoms	9
Formal charge	0
Complexity	97.1
Melting point	80.5°C
Boiling point	100°C (rough estimate)
Density	1.9318 (rough estimate)
Refractive index	1.6300 (estimate)
Storage conditions	2-8°C, protect from light
pKa (acidity coefficient)	2.82±0.10(Predicted)
Appearance	White to light brown Solid
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302+H312+H332
GHS precautionary statements	P260-P271-P280
Customs code	2921420090

GHS classification	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Customs code	2921420090
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H302+H312+H332
GHS precautionary statements	P260-P271-P280

3,4-Dibromoaniline, is a valuable precursor in organic synthesis, specially in the reactions involving the formation of benzynes.