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8-Bromooctanoic acid

8-Bromooctanoic acid structure

CAS No:
17696-11-6
Formula:
C8H15BrO2
Chemical Name:
8-Bromooctanoic acid
Synonyms:
Octanoic acid,8-bromo-;Caprylic acid,η-bromo-;8-Bromooctanoic acid;8-Bromocaprylic acid;ω-Bromooctanoic acid;671195-24-7
Categories:
Chemical Reagents > Organic Reagents

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Description

off-white powder

8-Bromooctanoic acid Basic Attributes

Molecular Weight：

223.11

Exact Mass：

223.11

EC Number：

1533716-785-6

DSSTox ID：

DTXSID40338314

HScode：

29159000

Characteristics

PSA：

37.3

XLogP3：

1.3

Appearance：

White to cream Crystalline Powder

Density：

1.3542 (rough estimate)

Melting Point：

38.5 °C

Boiling Point：

147-150 °C @ Press: 2 Torr

Flash Point：

>110°C

Refractive Index：

1.4613 (estimate)

Water Solubility：

Slightly soluble in water.

Vapor Pressure：

0.0032mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45

Marks：

Hazard note：

Corrosive

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 49 companies from 5 notifications to the ECHA C&L Inventory.

8-Bromooctanoic acid Use and Manufacturing

To a solution of ethyl 8-bromooctanoate (1.0 g, 3.98mmol) in EtOH (10 mL), 1M NaOH (3.98 mL) was addeddropwise, and the resulting mixture was stirred at 0°C for 5h. The mixture was acidified with 1M HCl and extractedwith ethyl acetate (3 10 mL). The organic layer waswashed with satd NaHCO3 (2 20 mL) and brine (2 20mL), dried over Na2SO4, filtered, and concentrated to getcompound 17 as colorless oil 0.86 g, yield 97percent.(i)

Computed Properties

Molecular Weight:223.11
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:222.02554
Monoisotopic Mass:222.02554
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:104
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sulfuric acid

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