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

₹ 5,300.00

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

Other Options

Image Product Name Manufacturer Price Range
50-180-3903
Sigma Aldrich Fine Chemicals Biosciences Methyl 4-bromobenzoate 99% | 619-42-1 | MFCD00013531 | 10G
Sigma Aldrich Fine Chemicals Biosciences ₹ 12,682.56
50-353-231
Accela Chembio Inc Methyl 4-bromobenzoate | 25g | 619-42-1 | MFCD00013531 | 98% | Shelf Life: 1800 Days | Light Sensitive
Accela Chembio Inc ₹ 2,139.00
CS-W004846
Methyl 4-bromobenzoate
ChemScene ₹ 427.80 - ₹ 11,721.72

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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

GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

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

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407593

99%...


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

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SMILES string:
[Cl-].C[N+](C)=C

InChI:
1S/C3H8N.ClH/c1-4(2)3;/h1H2,2-3H3;1H/q+1;/p-1

InChI key:
ZJTROANVDZIEGB-UHFFFAOYSA-M

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Sigma Aldrich

407666

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__

form:
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N

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1S/H3N/h1H3

InChI key:
QGZKDVFQNNGYKY-UHFFFAOYSA-N

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Sigma Aldrich

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form:
liquid

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InChI:
1S/H3N/h1H3

InChI key:
QGZKDVFQNNGYKY-UHFFFAOYSA-N