4-(1-BROMOETHYL)BENZOIC ACID
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4-(1-BROMOETHYL)BENZOIC ACID
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CAS No:
113023-73-7
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Formula:
C9H9BrO2
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Chemical Name:
4-(1-BROMOETHYL)BENZOIC ACID
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Synonyms:
4-(1-Bromoethyl)benzoic acid;Benzoic acid, 4-(1-bromoethyl)-;4-(1-BROMOETHYL)BENZOICACID;ACMC-1C3TF;SCHEMBL508553;4-(1-bromoethyl)-benzoic acid;CTK4A8074;4-(1-bromo-ethyl)-benzoic acid;DTXSID30408757;Benzoic acid,4-(1-bromoethyl)-
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CAS No:
Characteristics
37.3
2.84070
1.540±0.06 g/cm3(Predicted)
155-156°C
324.3±25.0 °C(Predicted)
150ºC
1.594
Insoluble in water.
Safety Information
III
8
3261
34
26-36/37/39-45
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, P501
H302
|Warning|H302 (90.48%): 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 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:229.07
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:227.97859
Monoisotopic Mass:227.97859
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:162
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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