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Methyl 5-bromopentanoate

Methyl 5-bromopentanoate structure

CAS No:
5454-83-1
Formula:
C6H11BrO2
Chemical Name:
Methyl 5-bromopentanoate
Synonyms:
Pentanoic acid,5-bromo-,methyl ester;Valeric acid,5-bromo-,methyl ester;Methyl 5-bromopentanoate;Methyl 5-bromovalerate;Methyl ω-bromopentanoate;5-Bromovaleric acid methyl ester;Methyl δ-bromovalerate;NSC 23228;5-Bromopentanoic acid methyl ester;Methyl 5-bromobutanoate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR COLOURLESS TO BROWN LIQUID

Methyl 5-bromopentanoate Basic Attributes

Molecular Weight：

195.05

Exact Mass：

195.05

BRN：

1749649

EC Number：

226-709-7

NSC Number：

23228

DSSTox ID：

DTXSID4063907

HScode：

29159080

Characteristics

PSA：

26.3

XLogP3：

1.9

Appearance：

Clear colorless to brown Liquid

Density：

1.4±0.1 g/cm3

Boiling Point：

101.5 °C @ Press: 14 Torr

Flash Point：

211 °F

Refractive Index：

1.458

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

23-24/25

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl 5-bromopentanoate Use and Manufacturing

Methods of Manufacturing

General procedure: Lauric acid (1a) (2.01 g, 10.0 mmol) was dissolved in methanol (10 mL) and then placed in a syringe, which wasthen attached to a syringe pump. The methanol solution was fedinto a stainless steel column (inner volume: 0.53 mL, 4.0 mm i.d. © 50 mm) filled in HO-SAS (334 mg) with a flow rate of0.177 mL.min

Manufacturing Info：

Pentanoic acid, 5-bromo-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:195.05
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:193.99424
Monoisotopic Mass:193.99424
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:83.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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