2-Bromooctadecanoic acid
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2-Bromooctadecanoic acid
structure -
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CAS No:
142-94-9
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Formula:
C18H35BrO2
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Chemical Name:
2-Bromooctadecanoic acid
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Synonyms:
Octadecanoic acid,2-bromo-;Stearic acid,α-bromo-;2-Bromooctadecanoic acid;2-Bromostearic acid;α-Bromostearic acid;DL-α-Bromostearic acid;NSC 58376;17108-71-3
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CAS No:
Characteristics
37.30000
8.82
1.1±0.1 g/cm3
58 °C
431.0±18.0 °C at 760 mmHg
214.5±21.2 °C
1.479
-20ºC
1.23E-08mmHg at 25°C
Safety Information
3
R36/37/38
S26-S36/37/39
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Bromooctadecanoic acid Use and Manufacturing
Octadecanoic acid, 2-bromo-: INACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Computed Properties
Molecular Weight:363.4
XLogP3:8.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:16
Exact Mass:362.18204
Monoisotopic Mass:362.18204
Topological Polar Surface Area:37.3
Heavy Atom Count:21
Complexity:231
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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