2-Bromobutanamide - CAS 5398-24-3

Catalog:	BB028429
Product Name:	2-Bromobutanamide
CAS:	5398-24-3
Synonyms:	2-bromobutanamide; 2-bromobutanamide

Technical Data

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Computed Properties

IUPAC Name:	2-bromobutanamide
Description:	2-Bromobutanamide (CAS# 5398-24-3) is a useful research chemical.
Molecular Weight:	166.02
Molecular Formula:	C4H8BrNO
Canonical SMILES:	CCC(C(=O)N)Br
InChI:	InChI=1S/C4H8BrNO/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H2,6,7)
InChI Key:	AKSLRYGHJVUELA-UHFFFAOYSA-N
Boiling Point:	250.2 °C at 760 mmHg
Density:	1.524 g/cm³
MDL:	MFCD08235148
LogP:	1.34550

Publication Number	Title	Priority Date
CN-113511994-A	Preparation method of levetiracetam	20210816
CN-112763612-A	Detection method of halogenated amide substances	20201228
WO-2021143677-A1	Fused ring substituted aromatic compound and preparation method therefor, herbicidal composition, and use thereof	20200116
WO-2021139482-A1	Carboxylic acid derivative-substituted imino aryl compound, preparation method therefor, herbicidal composition and use thereof	20200111
WO-2021139498-A1	Isoxazoline oxime carboxylate compound, preparation method therefor, and herbicidal composition and use thereof	20200107

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	74.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.97893
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.97893
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9