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2-Bromo-3-fluoro-phenylamine

2-Bromo-3-fluoro-phenylamine - CAS 111721-75-6

Catalog:	BB054634
Product Name:	2-Bromo-3-fluoro-phenylamine
CAS:	111721-75-6
Synonyms:	2-Bromo-3-fluorophenylamine; (2-bromo-3-fluoro-phenyl)-amine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-bromo-3-fluoroaniline
Molecular Weight:	190.01
Molecular Formula:	C6H5BrFN
Canonical SMILES:	C1=CC(=C(C(=C1)F)Br)N
InChI:	InChI=1S/C6H5BrFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
InChI Key:	XZRSXRUYZXBTGD-UHFFFAOYSA-N
Boiling Point:	229.8±20.0 °C at 760 mmHg
Melting Point:	32-34°C
Purity:	98%
Density:	1.67 g/cm3
Appearance:	Off-white Crystalline

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GHS Hazard Statement:	H315 (18.18%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (18.18%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H331 (81.82%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H335 (27.27%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.95894
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.95894
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2