Methyl 4-(bromomethyl)benzoate
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Methyl 4-(bromomethyl)benzoate
structure -
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CAS No:
2417-72-3
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Formula:
C9H9BrO2
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Chemical Name:
Methyl 4-(bromomethyl)benzoate
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Synonyms:
Benzoic acid,4-(bromomethyl)-,methyl ester;p-Toluic acid,α-bromo-,methyl ester;Methyl p-(bromomethyl)benzoate;p-(Bromomethyl)benzoic acid methyl ester;p-(Carbomethoxy)benzyl bromide;Methyl α-bromo-p-toluate;p-(Methoxycarbonyl)benzyl bromide;4-(Carbomethoxy)benzyl bromide;α-Bromo-p-toluic acid methyl ester;4-(Bromomethyl)benzoic acid methyl ester;4-(Methoxycarbonyl)benzyl bromide;Methyl 4-(bromomethyl)benzoate;NSC 83959
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CAS No:
Methyl 4-(bromomethyl)benzoate Basic Attributes
229.07
229.07
1867272
-0
83959
DTXSID4049406
2916399090
Characteristics
26.3
2.9
White to yellow Crystalline Powder, Crystals and/or Chunks
1.5±0.1 g/cm3
54-55 °C
115-117 °C @ Press: 3 Torr
130-135°C/2mm
1.560
Lowly soluble in water, highly soluble in ethanol and ether, not soluble in halogenated organic solvents
0.00063mmHg at 25°C
Safety Information
Ⅱ
8
UN 3261 8/PG 2
3
22-34-43
26-36/37/39-45-25
C
Irritant
P261-P280-P301 + P310-P305 + P351 + P338-P310
H301-H314-H334
|Danger|H301 (82.98%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P280, P285, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P330, P342+P311, P363, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl 4-(bromomethyl)benzoate Use and Manufacturing
4-(Bromomethyl)benzoic Acid Methyl Ester is an ester derivative of a bromoalkylated benzoic acid. 4-(Bromomethyl)benzoic Acid Methyl Ester is used in the preparation of potential anti-HIV agents. It is also used as a catalyst for rearrangement of benzylthiothiazoline derivatives in the preparation aldose reductase inhibitors.
Computed Properties
Molecular Weight:229.07
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:227.97859
Monoisotopic Mass:227.97859
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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