4-Bromo-2-nitrobenzonitrile, 98%

Name: 4-Bromo-2-nitrobenzonitrile
Brand: Chempure

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CAS Number

79603-03-5

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About this item

IUPAC name	4-bromo-2-nitrobenzonitrile
inchi	InChI=1S/C7H3BrN2O2/c8-6-2-1-5(4-9)7(3-6)10(11)12/h1-3H
inchi key	IOBYLOUUUJPZEO-UHFFFAOYSA-N
molecular formula	C7H3BrN2O2
synonyms	4-bromo-2-nitrobenzonitrile 79603-03-5 4-BROMO-2-NITRO-BENZONITRILE Benzonitrile, 4-bromo-2-nitro- 4-BROMO-1-CYANO-2-NITROBENZENE

Computed Properties

Molecular Weight:	227.01 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	225.93779 g/mol
Monoisotopic Mass:	225.93779 g/mol
Topological Polar Surface Area:	69.6 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	229
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: CO1082

4-Bromo-2-nitrobenzonitrile, 98%

Product No: CO1082

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?