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Hexanoic acid, 2-bromo-, ethyl ester

Hexanoic acid, 2-bromo-, ethyl ester structure

CAS No:
615-96-3
Formula:
C8H15BrO2
Chemical Name:
Hexanoic acid, 2-bromo-, ethyl ester
Synonyms:
Hexanoic acid,2-bromo-,ethyl ester;Ethyl 2-bromohexanoate;2-Bromohexanoic acid ethyl ester;Ethyl 2-bromocaproate;Ethyl α-bromocaproate;DL-Ethyl 2-bromohexanoate;NSC 8879;63034-18-4;63927-44-6
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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

Molecular Weight：

223.11

Exact Mass：

223.11

EC Number：

210-455-9

NSC Number：

8879

HScode：

29159000

Characteristics

PSA：

26.3

XLogP3：

3.31

Appearance：

colorless liquid

Density：

1.3±0.1 g/cm3

Melting Point：

29ºC

Boiling Point：

95-96 °C @ Press: 9 Torr

Flash Point：

204 °F

Refractive Index：

1.459

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

22-34-36/37/38

safety instructions：

26-36/37/39-36

Marks：

C,Xi

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H314

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hexanoic acid, 2-bromo-, ethyl ester Use and Manufacturing

Manufacturing Info：

Hexanoic acid, 2-bromo-, ethyl ester: INACTIVE

Computed Properties

Molecular Weight:223.11
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:222.02554
Monoisotopic Mass:222.02554
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:115
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexanoic acid, 2-bromo-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

Hexanoic acid, 2-bromo-, ethyl ester

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