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2-Bromohexadecanoic acid

2-Bromohexadecanoic acid structure

CAS No:
18263-25-7
Formula:
C16H31BrO2
Chemical Name:
2-Bromohexadecanoic acid
Synonyms:
Hexadecanoic acid,2-bromo-;2-Bromohexadecanoic acid;2-Bromopalmitic acid;α-Bromopalmitic acid;1-Bromopentadecanecarboxylic acid;2-Bromo-n-hexadecanoic acid;DL-2-Bromopalmitate;NSC 58378;40305-76-8
Categories:
Chemical Reagents > Organic Reagents

Description

WHITE CRYSTALLINE POWDERChEBI: A bromo fatty acid that is hexadecanoic (palmitic) acid carrying a single bromo substituent at position 2.

2-bromohexadecanoic acid is a bromo fatty acid that is hexadecanoic (palmitic) acid carrying a single bromo substituent at position 2. It has a role as a fatty acid oxidation inhibitor. It is a bromo fatty acid, a straight-chain fatty acid, a long-chain fatty acid and a 2-bromocarboxylic acid. It derives from a hexadecanoic acid.

2-Bromohexadecanoic acid Basic Attributes

Molecular Weight：

335.32

Exact Mass：

335.32

EC Number：

242-137-0

NSC Number：

58378

DSSTox ID：

DTXSID0037734

HScode：

2915900090

Characteristics

PSA：

37.3

XLogP3：

7.76

Density：

1.1985 (rough estimate)

Melting Point：

53-53.5 °C

Boiling Point：

403.4±18.0 °C(Predicted)

Flash Point：

113 °C

Refractive Index：

1.4650 (estimate)

Water Solubility：

methanol: soluble1g/10 mL, clear, colorless

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances which lower blood glucose levels. (See all compounds classified as Hypoglycemic Agents.)

MeSH Entry Terms：

2-bromohexadecanoic acid

2-Bromohexadecanoic acid Use and Manufacturing

Manufacturing Info：

Hexadecanoic acid, 2-bromo-: INACTIVE

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]

Computed Properties

Molecular Weight:335.32
XLogP3:7.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:14
Exact Mass:334.15074
Monoisotopic Mass:334.15074
Topological Polar Surface Area:37.3
Heavy Atom Count:19
Complexity:207
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 18263-25-7

Grade: Pharmaceutical Grade

Content: 99%

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