1,7-Dimethyl 2,6-dibromoheptanedioate
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1,7-Dimethyl 2,6-dibromoheptanedioate
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CAS No:
868-73-5
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Formula:
C9H14Br2O4
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Chemical Name:
1,7-Dimethyl 2,6-dibromoheptanedioate
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Synonyms:
Heptanedioic acid,2,6-dibromo-,1,7-dimethyl ester;Heptanedioic acid,2,6-dibromo-,dimethyl ester;1,7-Dimethyl 2,6-dibromoheptanedioate;Dimethyl 2,6-dibromoheptanedioate;NSC 291648
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CAS No:
1,7-Dimethyl 2,6-dibromoheptanedioate Basic Attributes
346.01300
346.01
291648
DTXSID00315065
2917190090
Characteristics
52.60000
2.02970
1.5802 g/cm3 @ Temp: 20 °C
185-192 °C @ Press: 12 Torr
>230 °F
n20/D 1.501(lit.)
Safety Information
UN 3334
3
22-36/37/38
26
Xn: Harmful;
P261-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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.
Computed Properties
Molecular Weight:346.01
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:345.92383
Monoisotopic Mass:343.92588
Topological Polar Surface Area:52.6
Heavy Atom Count:15
Complexity:198
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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