5-bromo-2-chlorobenzonitrile, 95%

Name: 5-bromo-2-chlorobenzonitrile
Brand: Chempure

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CAS Number

57381-44-9

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IUPAC name	5-bromo-2-chlorobenzonitrile
canonical smiles	C1=CC(=C(C=C1Br)C#N)Cl
inchi	InChI=1S/C7H3BrClN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
inchi key	NKDMQBUJOXQVEA-UHFFFAOYSA-N
molecular formula	C7H3BrClN
synonyms	5-bromo-2-chlorobenzonitrile 57381-44-9 MFCD00672948 5-Bromo-2chlorobenzonitrile Benzonitrile, 5-bromo-2-chloro-

Computed Properties

Molecular Weight:	216.46 g/mol
XLogP3:	2.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	214.91374 g/mol
Monoisotopic Mass:	214.91374 g/mol
Topological Polar Surface Area:	23.8 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	162
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 (50%) Eye Irrit. 2 (50%)
precautionary statement codes	P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: CI7174

5-bromo-2-chlorobenzonitrile, 95%

Product No: CI7174

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Product No: CI7174

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?