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Pentanoic acid, 2-bromo-, ethyl ester

Pentanoic acid, 2-bromo-, ethyl ester structure

CAS No:
615-83-8
Formula:
C7H13BrO2
Chemical Name:
Pentanoic acid, 2-bromo-, ethyl ester
Synonyms:
Pentanoic acid,2-bromo-,ethyl ester;Valeric acid,2-bromo-,ethyl ester;Ethyl α-bromovalerate;2-Bromovaleric acid ethyl ester;Ethyl 2-bromopentanoate;Ethyl 2-bromovalerate;2-Bromopentanoic acid ethyl ester;NSC 8865;79584-43-3
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless liquid

Pentanoic acid, 2-bromo-, ethyl ester Basic Attributes

Molecular Weight：

209.08

Exact Mass：

209.08

BRN：

1098901

EC Number：

210-450-1

NSC Number：

8865

DSSTox ID：

DTXSID40275770

HScode：

29159080

Characteristics

PSA：

26.3

XLogP3：

2.78

Appearance：

Clear colorless Liquid

Density：

1.3±0.1 g/cm3

Boiling Point：

191 °C

Flash Point：

171 °F

Refractive Index：

1.458

Water Solubility：

H2O: insoluble

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

34-36/37-36/37/38

safety instructions：

23-26-27-36/37/39-45-24/25

Marks：

C,Xi

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H314-H335

GHS Classification：

|Danger|H314 (97.78%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:209.08
XLogP3:2.6
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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Guide of Pentanoic acid, 2-bromo-, ethyl ester

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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Pentanoic acid, 2-bromo-, ethyl ester

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