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Home > Encyclopedia > Octanoic acid, 2-bromo-, ethyl ester

Octanoic acid, 2-bromo-, ethyl ester

Octanoic acid, 2-bromo-, ethyl ester structure

Octanoic acid, 2-bromo-, ethyl ester 

structure
  • CAS No:

    5445-29-4

  • Formula:

    C10H19BrO2

  • Chemical Name:

    Octanoic acid, 2-bromo-, ethyl ester

  • Synonyms:

    Octanoic acid,2-bromo-,ethyl ester;Ethyl 2-bromooctanoate;Ethyl α-bromocaprylate;α-Bromocaprylic acid ethyl ester;NSC 21989;2-Bromo-octanoic acid ethyl ester;138286-76-7

  • Categories:

    Chemical Reagents  >  Organic Reagents

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

251.16

251.16

226-647-0

21989

2915900090

Characteristics

26.3

4.2

1.2±0.1 g/cm3

137-140 °C @ Press: 25 Torr

112.1±10.3 °C

1.461

Safety Information

UN 3334

3

R36/38

S26-S36

Xi

P261-P305 + P351 + P338

H315-H319-H335

|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 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:251.16
XLogP3:4.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:250.05684
Monoisotopic Mass:250.05684
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:137
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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