407593
Methyl 4-bromobenzoate
99%
Manufacturer: Sigma Aldrich
CAS Number: 619-42-1
Synonym(S): 1-Bromo-4-(methoxycarbonyl)benzene, 4-Bromobenzoic acid methyl ester, 4-Methoxycarbonyl-1-bromobenzene, 4-Methoxycarbonylphenyl bromide, Methyl p-bromobenzoate, p-Bromobenzoic acid methyl ester
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 10 G | 407593-10-G | In Stock | ₹ 5,300.00 |
407593 - 10 G
In Stock
Quantity
1
Base Price: ₹ 5,300.00
GST (18%): ₹ 954.00
Total Price: ₹ 6,254.00
Quality Level
100
Assay
99%
form
powder
mp
77-81 °C (lit.)
SMILES string
COC(=O)c1ccc(Br)cc1
InChI
1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI key
CZNGTXVOZOWWKM-UHFFFAOYSA-N
Description
- General description: Methyl 4-bromobenzoate is a para-substituted aryl bromide.[1] Molecules of methyl 4-bromobenzoate are almost planar. The compound is isostructural with methyl 4-iodobenzoate.[2] The Zeeman effect on the N.Q.R. (nuclear quadrupole resonance) of methyl 4-bromobenzoate on single crystals, has been investigated by the ′geometric method′.[3]
- Application: Methyl 4-bromobenzoate may be used in the following syntheses:Three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogs, employed as antifolates.[4] Methyl 4-tri-n-butylstannylbenzoate.[5]Methyl 4-(2-pyridyl)benzoate by cross coupling reaction with lithium 2-pyridyltriolborate.[6]Methyl 4-imidazo[1,2-a]pyridin-3-ylbenzoate by ligand-free Pd(OAc)2 catalyzed reaction with Imidazo[1,2-a]pyridine.[7]Methyl (E)-4-[3-(2-methoxycarbonylvinyl)-thiophen-2-yl]acrylate by reacting with methyl (E)-3-(thiophen-3-y)lacrylate.[1]
SAFETY INFORMATION
Pictograms
Signal Word
Warning
Hazard Statements
Precautionary Statements
P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Compare Similar Items
Show Difference
Quality Level: 100
Assay: 99%
form: powder
mp: 77-81 °C (lit.)
SMILES string: COC(=O)c1ccc(Br)cc1
InChI: 1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI key: CZNGTXVOZOWWKM-UHFFFAOYSA-N
Quality Level:
100
Assay:
99%
form:
powder
mp:
77-81 °C (lit.)
SMILES string:
COC(=O)c1ccc(Br)cc1
InChI:
1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChI key:
CZNGTXVOZOWWKM-UHFFFAOYSA-N
Quality Level: 100
Assay: __
form: liquid
mp: __
SMILES string: N
InChI: 1S/H3N/h1H3
InChI key: QGZKDVFQNNGYKY-UHFFFAOYSA-N
Quality Level:
100
Assay:
__
form:
liquid
mp:
__
SMILES string:
N
InChI:
1S/H3N/h1H3
InChI key:
QGZKDVFQNNGYKY-UHFFFAOYSA-N
Quality Level: 200
Assay: __
form: solid
mp: __
SMILES string: __
InChI: __
InChI key: __
Quality Level:
200
Assay:
__
form:
solid
mp:
__
SMILES string:
__
InChI:
__
InChI key:
__
Quality Level: 200
Assay: ≥99.5%
form: liquid
mp: 10 °C (lit.)
SMILES string: NCc1ccccc1
InChI: __
InChI key: __
Quality Level:
200
Assay:
≥99.5%
form:
liquid
mp:
10 °C (lit.)
SMILES string:
NCc1ccccc1
InChI:
__
InChI key:
__