2-Bromoethyl acetate - CAS 927-68-4

Catalog:	BB040612
Product Name:	2-Bromoethyl acetate
CAS:	927-68-4
Synonyms:	2-bromoethyl acetate

Technical Data

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Computed Properties

IUPAC Name:	2-bromoethyl acetate
Description:	2-Bromoethyl acetate (CAS# 927-68-4) is a versatile building block used in the synthesis of chemical compounds.
Molecular Weight:	167.00
Molecular Formula:	C4H7BrO2
Canonical SMILES:	CC(=O)OCCBr
InChI:	InChI=1S/C4H7BrO2/c1-4(6)7-3-2-5/h2-3H2,1H3
InChI Key:	RGHQKFQZGLKBCF-UHFFFAOYSA-N
Boiling Point:	159 ℃
Density:	1.514 g/mL at 25 ℃ (lit.)
MDL:	MFCD00000235
LogP:	0.94440

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	62.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.96294
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.96294
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9