1-(azepan-1-yl)-2-chloroethan-1-one, 95%

Name: 1-(azepan-1-yl)-2-chloroethan-1-one
Brand: Chempure

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CAS Number

52227-33-5

Molecular Weight

175.7

Formula

C8H14ClNO

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About this item

IUPAC name	1-(azepan-1-yl)-2-chloroethanone
canonical smiles	C1CCCN(CC1)C(=O)CCl
inchi	InChI=1S/C8H14ClNO/c9-7-8(11)10-5-3-1-2-4-6-10/h1-7H2
inchi key	OUYNYRUBFQVLEE-UHFFFAOYSA-N
molecular formula	C8H14ClNO
synonyms	1-(Chloroacetyl)azepane 52227-33-5 1-(azepan-1-yl)-2-chloroethanone 1-Azepan-1-yl-2-chloro-ethanone 1-(azepan-1-yl)-2-chloroethan-1-one

Computed Properties

Molecular Weight:	175.65 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	1
Exact Mass:	175.0763918 g/mol
Monoisotopic Mass:	175.0763918 g/mol
Topological Polar Surface Area:	20.3 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	130
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	Skin Irrit. 2 (100%) Eye Dam. 1 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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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*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: AW8456

1-(azepan-1-yl)-2-chloroethan-1-one, 95%

Product No: AW8456

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Product No: AW8456

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?