4-Bromo-1,3-benzenedicarboxylic acid
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4-Bromo-1,3-benzenedicarboxylic acid
structure -
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CAS No:
6939-93-1
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Formula:
C8H5BrO4
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Chemical Name:
4-Bromo-1,3-benzenedicarboxylic acid
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Synonyms:
1,3-Benzenedicarboxylic acid,4-bromo-;Isophthalic acid,4-bromo-;4-Bromo-1,3-benzenedicarboxylic acid;4-Bromoisophthalic acid;1,3-Dicarboxy-4-bromobenzene;NSC 38770;1-Bromobenzene-2,4-dicarboxylic acid;2-Bromobenzene-1,5-dicarboxylic acid
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CAS No:
4-Bromo-1,3-benzenedicarboxylic acid Basic Attributes
245.03
245.03
1959392
230-078-3
38770
DTXSID50219509
2917399090
Characteristics
74.6
2.11
White to off-white Crystalline Powder and Chunks
1.9±0.1 g/cm3
303-304 °C @ Solvent: Water, Ethanol
430.6±40.0 °C at 760 mmHg
214.2±27.3 °C
1.652
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
36/37/38
37/39-26-37
Xi
Stable at room temperature in closed containers under normal storage and handling conditions.
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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:245.03
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:243.93712
Monoisotopic Mass:243.93712
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Bromo-1,3-benzenedicarboxylic acid
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