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2417-72-3

2417-72-3 Structure

2417-72-3 Structure
IdentificationMore
[Name]

Methyl 4-(bromomethyl)benzoate
[CAS]

2417-72-3
[Synonyms]

4-(BROMOMETHYL)BENZOIC ACID METHYL ESTER
ALPHA-BROMO-P-TOLUIC ACID METHYL ESTER
METHYL 4-(BROMOMETHYL)BENZOATE
METHYL ALPHA-BROMO-P-TOLUATE
METHYL P-(BROMOMETHYL)BENZOATE
Methyl-4-[Bromomethyl]Benzoate98%
Benzoic acid, 4-(bromomethyl)-, methyl ester
Methyl-4-(bromethyl benzoate)
4-(Bromomethyl)benzoic acid methyl
4-(Methoxycarbonyl)benzyl bromide
p-(Bromomethyl)benzoic acid methyl ester
[EINECS(EC#)]

607-335-7
[Molecular Formula]

C9H9BrO2
[MDL Number]

MFCD00032453
[Molecular Weight]

229.07
[MOL File]

2417-72-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystalline powder
[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. ]

Inert atmosphere,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
[InChI]

InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
[InChIKey]

NLWBJPPMPLPZIE-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C1=CC=C(CBr)C=C1
[CAS DataBase Reference]

2417-72-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS05,GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H301-H314-H334
[Precautionary statements ]

P260-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

C
[Risk Statements ]

R22:Harmful if swallowed.
R34:Causes burns.
R43:May cause sensitization by skin contact.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S25:Avoid contact with eyes .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29163900
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Resp. Sens. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Bromomethyl benzoyl chloride-->Methyl 4-formylbenzoate-->Methyl (4-hydroxymethyl)benzoate-->Carbon tetrabromide-->Methyl 4-methylbenzoate-->4-Bromomethylbenzoic acid-->Benzoyl peroxide
[Preparation Products]

Methyl 4-((piperidin-4-yl)methyl)benzoate-->4-((1-(tert-Butoxycarbonyl)piperidin-4-yl)methyl)benzoic acid-->EPROSARTAN-->Methyl 3-cyano-4-Methylbenzoate-->2-(4-(methoxycarbonyl)phenyl)acetic acid-->Methyl 4-vinylbenzoate-->4-(4-Methylpiperazin-1-ylmethyl)benzoic acid-->methyl 4-((benzo[d]thiazol-2-ylthio)methyl)benzoate-->Methyl 4-(1H-pyrazol-1-ylmethyl)benzoate-->4-[(1,1-Dioxo-1lambda6,4-thiazinan-4-yl)methyl]benzoic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 4-(bromomethyl)benzoate(2417-72-3).msds
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystalline powder
[Uses]

Methyl 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 Description]

Methyl 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.
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 4-(bromomethyl)benzoate(2417-72-3)1HNMR
Methyl 4-(bromomethyl)benzoate(2417-72-3)13CNMR
Methyl 4-(bromomethyl)benzoate(2417-72-3)Raman
Methyl 4-(bromomethyl)benzoate(2417-72-3)FT-IR
Methyl 4-(bromomethyl)benzoate(2417-72-3)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Methyl 4-(bromomethyl)benzoate, 98%(2417-72-3)
[Alfa Aesar]

Methyl 4-(bromomethyl)benzoate, 98%(2417-72-3)
[Sigma Aldrich]

2417-72-3(sigmaaldrich)
[TCI AMERICA]

Methyl 4-(Bromomethyl)benzoate,>97.0%(GC)(2417-72-3)
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