2-Bromooctanoic acid
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2-Bromooctanoic acid
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CAS No:
2623-82-7
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Formula:
C8H15BrO2
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Chemical Name:
2-Bromooctanoic acid
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Synonyms:
Octanoic acid,2-bromo-;2-Bromooctanoic acid;α-Bromooctanoic acid;(±)-2-Bromooctanoic acid;(±)-α-Bromooctanoic acid;2-Bromocaprylic acid;70610-87-6
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CAS No:
Characteristics
37.30000
2.80490
1.278 g/mL at 25 °C(lit.)
118-121 °C @ Press: 0.6 Torr
>230 °F
n20/D 1.471(lit.)
Safety Information
UN 3265 8/PG 2
3
R34
S26-S36/37/39-S45
C: Corrosive;
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:223.11
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:222.02554
Monoisotopic Mass:222.02554
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:115
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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