tert-Butyl 3-bromopropionate, 97%

Name: tert-Butyl 3-bromopropionate
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

55666-43-8

Molecular Weight

209.08

Formula

C7H13BrO2

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About this item

IUPAC name	tert-butyl 3-bromopropanoate
canonical smiles	CC(C)(C)OC(=O)CCBr
inchi	InChI=1S/C7H13BrO2/c1-7(2,3)10-6(9)4-5-8/h4-5H2,1-3H3
inchi key	RMWVUWLBLWBQDS-UHFFFAOYSA-N
molecular formula	C7H13BrO2
synonyms	tert-butyl 3-bromopropanoate 55666-43-8 tert-Butyl 3-bromopropionate MFCD04974087 tert-Butyl3-bromopropanoate

Computed Properties

Molecular Weight:	209.08 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	4
Exact Mass:	208.00989 g/mol
Monoisotopic Mass:	208.00989 g/mol
Topological Polar Surface Area:	26.3 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	115
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	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning 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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Documentation

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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: AA0168

tert-Butyl 3-bromopropionate, 97%

Product No: AA0168

About this item

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CHEMICAL AND PHYSICAL PROPERTIES

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Documentation

Certificate of Analysis

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Product No: AA0168

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?