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Methyl 4-(bromomethyl)benzoate

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Methyl 4-(bromomethyl)benzoate Basic information
Product Name:Methyl 4-(bromomethyl)benzoate
Synonyms:Methyl 4-broMoMethylbenzoato;Methyl 4-(broMoMethyl)benzoate 98%;4 - broMine Methyl benzoic acid Methyl ester;p-(Methoxycarbonyl)benzyl bromide;ALPHA-BROMO-P-TOLUIC ACID METHYL ESTER;4-(BROMOMETHYL)BENZOIC ACID METHYL ESTER;METHYL P-(BROMOMETHYL)BENZOATE;Methyl-4-[Bromomethyl]Benzoate98%
CAS:2417-72-3
MF:C9H9BrO2
MW:229.07
EINECS:607-335-7
Product Categories:Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;alkyl bromide| carboxylic ester;Pyrazoles;Methyl Halides;Phenyls & Phenyl-Het;C8 to C9;Carbonyl Compounds;Esters;Chemical intermediate for Eprosartan;Aromatic Esters;Methyl Halides;Phenyls & Phenyl-Het;bc0001;2417-72-3
Mol File:2417-72-3.mol
Methyl 4-(bromomethyl)benzoate Structure
Methyl 4-(bromomethyl)benzoate Chemical Properties
Melting point 57-58 °C(lit.)
Boiling point 130-135 °C2 mm Hg(lit.)
density 1,47 g/cm3
refractive index 1.5320 (estimate)
Fp 130-135°C/2mm
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
solubility soluble in Chloroform, Methanol
form Crystalline Powder, Crystals and/or Chunks
color White to yellow
Water Solubility Lowly soluble in water, highly soluble in ethanol and ether, not soluble in halogenated organic solvents
Sensitive Lachrymatory
BRN 1867272
InChIInChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
InChIKeyNLWBJPPMPLPZIE-UHFFFAOYSA-N
SMILESC(OC)(=O)C1=CC=C(CBr)C=C1
CAS DataBase Reference2417-72-3(CAS DataBase Reference)
Safety Information
Hazard Codes C
Risk Statements 22-34-43
Safety Statements 26-36/37/39-45-25
RIDADR UN 3261 8/PG 2
WGK Germany 3
Hazard Note Irritant
HazardClass 8
PackingGroup III
HS Code 29163990
Storage Class6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard ClassificationsAcute Tox. 3 Oral
Resp. Sens. 1
Skin Corr. 1B
MSDS Information
ProviderLanguage
Methyl 4-(bromomethyl)benzoate English
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Methyl 4-(bromomethyl)benzoate Usage And Synthesis
Chemical Propertieswhite to off-white crystalline powder
UsesMethyl 4-(bromomethyl)benzoate is an ester derivative of a bromoalkylated benzoic acid. Methyl 4-(bromomethyl)benzoate is used in the preparation of potential anti-HIV agents. It i s also used as a catalyst for rearrangement of benzylthiothiazoline derivatives in the preparation aldose reductase inhibitors.
General DescriptionMethyl 4-(bromomethyl)benzoate is an ester. It is a lachrymator and an important drug intermediate. Ester group is slightly twisted out of the plane of the central aromatic ring in methyl 4-(bromomethyl)benzoate.
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