3-(Bromomethyl)benzoic acid

• CAS: 6515-58-8
• Catalog Number: ACM6515588
• Category: Bromine Series
• Molecular Weight: 215.04
• Molecular Formula: C8H7BrO2
• Synonyms: 3-Bromomethylbenzoic acid, 3-(bromomethyl)benzoic acid, 3-Bromomethyl-benzoic acid, m-CARBOXYBENZYL BROMIDE, ALBB-003892, NSC57780, CID245650, STK349598, TL8004618, B64514, T5380541, 6515-58-8
• IUPAC Name: 3-(bromomethyl)benzoic acid
• Canonical SMILES: C1=CC(=CC(=C1)CBr)C(=O)O
• InChI Key: FTPAHNNMUYOHOB-UHFFFAOYSA-N
• Boiling Point: 338.1ºC at 760 mmHg
• Flash Point: 158.2ºC
• Exact Mass: 213.96300
• H-Bond Acceptor: 2
• H-Bond Donor: 1

Custom Q&A

What is the PubChem CID for 3-(Bromomethyl)benzoic acid?

The PubChem CID for 3-(Bromomethyl)benzoic acid is 245650.

What is the molecular formula of 3-(Bromomethyl)benzoic acid?

The molecular formula of 3-(Bromomethyl)benzoic acid is C8H7BrO2.

What is the molecular weight of 3-(Bromomethyl)benzoic acid?

The molecular weight of 3-(Bromomethyl)benzoic acid is 215.04 g/mol.

What is the IUPAC name of 3-(Bromomethyl)benzoic acid?

The IUPAC name of 3-(Bromomethyl)benzoic acid is 3-(bromomethyl)benzoic acid.

What is the InChI of 3-(Bromomethyl)benzoic acid?

The InChI of 3-(Bromomethyl)benzoic acid is InChI=1S/C8H7BrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11).

What is the InChIKey of 3-(Bromomethyl)benzoic acid?

The InChIKey of 3-(Bromomethyl)benzoic acid is FTPAHNNMUYOHOB-UHFFFAOYSA-N.

What is the canonical SMILES of 3-(Bromomethyl)benzoic acid?

The canonical SMILES of 3-(Bromomethyl)benzoic acid is C1=CC(=CC(=C1)C(=O)O)CBr.

What is the CAS number of 3-(Bromomethyl)benzoic acid?

The CAS number of 3-(Bromomethyl)benzoic acid is 6515-58-8.

Is 3-(Bromomethyl)benzoic acid a canonicalized compound?

Yes, 3-(Bromomethyl)benzoic acid is a canonicalized compound according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 99-04-7

• 6515-58-8

Reference: [1] Patent: CN106366078, 2017, A, . Location in patent: Paragraph 0229; 0230; 0231

Upstream Synthesis Route 2

• 99-04-7

• 6515-58-8

Reference: [1] Patent: US4638002, 1987, A,

Upstream Synthesis Route 3

• 614-45-9
• 99-04-7

• 6515-58-8

Reference: [1] Patent: US2002/49316, 2002, A1,

Upstream Synthesis Route 4

• 128-08-5
• 99-04-7

• 6515-58-8

Reference: [1]Journal of Heterocyclic Chemistry,1994,vol. 31,p. 457 - 480

Downstream Synthesis Route 1

• 186581-53-3
• 6515-58-8

• 1129-28-8

Reference: [1]Magnetic Resonance in Chemistry,1989,vol. 27,p. 585 - 591

Downstream Synthesis Route 2

• 6066-82-6
• 6515-58-8

• 155863-35-7

Reference: [1]Journal of Heterocyclic Chemistry,1994,vol. 31,p. 457 - 480

* For details of the synthesis route, please refer to the original source to ensure accuracy.