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Merck
CN

37042

Bromobutide

PESTANAL®, analytical standard

Synonym(s):

(RS)-2-Bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)butyramide, 2-Bromo-3,3-dimethyl-N-(α,α-dimethylbenzyl)butyramide, 2-Bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)butanamide

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About This Item

Empirical Formula (Hill Notation):
C15H22BrNO
CAS Number:
74712-19-9
Molecular Weight:
312.25
UNSPSC Code:
41116107
PubChem Substance ID:
329755596
MDL number:
MFCD00274587

Key Documents

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InChI

1S/C15H22BrNO/c1-14(2,3)12(16)13(18)17-15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,17,18)

SMILES string

CC(C)(C)C(Br)C(=O)NC(C)(C)c1ccccc1

InChI key

WZDDLAZXUYIVMU-UHFFFAOYSA-N

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

agriculture
environmental

format

neat

Application

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Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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H Kanamaru et al.
Radioisotopes, 37(1), 1-6 (1988-01-01)
Bromobutide, a novel herbicide, was labeled with carbon-14 independently at the carbonyl group and the phenyl ring for use in metabolic studies. 14C-Carbonation of neopentylmagnesium chloride (3) gave 3,3-dimethyl[1-14C]butyric acid (4a) quantitatively. Chlorination of 4a with thionyl chloride followed by

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