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Methyl 2-bromohexanoate

Methyl 2-bromohexanoate structure

Methyl 2-bromohexanoate 

structure
  • CAS No:

    5445-19-2

  • Formula:

    C7H13BrO2

  • Chemical Name:

    Methyl 2-bromohexanoate

  • Synonyms:

    METHYL 2-BROMOHEXANOATE;METHYL 2-BROMOCAPROATE;METHYL ALPHA-BROMO HEXANOATE;2-BROMOHEXANOIC ACID METHYL ESTER;ALPHA-BROMOHEXANOIC ACID METHYL ESTER;2-BROMOHEXANOIC ACID METHYL ESTER 99%;Methyl 2-bromohexanoate >=99.0% (GC);Methyl2-Bromohexanoate>

  • Categories:

    Organic Chemistry  >  Carboxylic Acids and Derivatives

Description

Methyl 2-bromohexanoate undergoes addition reaction with methyl-10-undecenoate to yield lactone and dimethyl-2-butyltridecandioate.

Methyl 2-bromohexanoate Basic Attributes

209.08

209.08

1722052

226-643-9

21976

TSCA listed

DTXSID9052715

Colorless to Almost colorless

29159000

Characteristics

26.30000

2.78

1.289 g/mL at 20 °C (lit.)

< -10ºC

94°C/15mmHg(lit.)

69 °C

n20/D1.455

32Pa at 25℃

Storage temp. 2-8°C

Safety Information

1993

3

Xi

26-36-36/37/39

Xi

P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P362, P363, P405, P501

36/37/38-36/38

1993

|Danger|H314 (88.33%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P332+P313, P362, P363, P405, and P501|Aggregated GHS information provided by 60 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl 2-bromohexanoate Use and Manufacturing

Uses

Used as pesticide and pharmaceutical intermediate


Methyl 2-bromohexanoate was used in the synthesis of 2-butyl-2H-pyrido[3,2-b]-1,4-oxazin-3(4H)-one.

Hexanoic acid, 2-bromo-, methyl ester: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:209.08
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:208.00989
Monoisotopic Mass:208.00989
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:104
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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