2-(Bromomethyl)benzoic acid

• CAS: 7115-89-1
• Catalog Number: ACM7115891
• Category: Bromine Series
• Molecular Weight: 215.04
• Molecular Formula: C8H7BrO2
• Synonyms: 2-(bromomethyl)benzoic acid, 2-Bromomethyl-benzoic acid, MolPort-000-162-738, NSC403995, CID346003, STK301621, TL8005004, VT-00204101, 7115-89-1
• IUPAC Name: 2-(bromomethyl)benzoic acid
• Canonical SMILES: C1=CC=C(C(=C1)CBr)C(=O)O
• InChI Key: QSLMPDKYTNEMFQ-UHFFFAOYSA-N
• Boiling Point: 317.1ºC at 760mmHg
• Melting Point: 148-151ºC
• Flash Point: 145.6ºC
• Density: 1.635g/cm³
• Exact Mass: 213.96300
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Packing Group: II

Custom Q&A

What is the molecular formula of 2-(Bromomethyl)benzoic acid?

The molecular formula of 2-(Bromomethyl)benzoic acid is C8H7BrO2.

What is the molecular weight of 2-(Bromomethyl)benzoic acid?

The molecular weight of 2-(Bromomethyl)benzoic acid is 215.04 g/mol.

What is the IUPAC name of 2-(Bromomethyl)benzoic acid?

The IUPAC name of 2-(Bromomethyl)benzoic acid is 2-(bromomethyl)benzoic acid.

What is the InChI of 2-(Bromomethyl)benzoic acid?

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

What is the InChIKey of 2-(Bromomethyl)benzoic acid?

The InChIKey of 2-(Bromomethyl)benzoic acid is QSLMPDKYTNEMFQ-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(Bromomethyl)benzoic acid?

The canonical SMILES of 2-(Bromomethyl)benzoic acid is C1=CC=C(C(=C1)CBr)C(=O)O.

What is the CAS number of 2-(Bromomethyl)benzoic acid?

The CAS number of 2-(Bromomethyl)benzoic acid is 7115-89-1.

What is the EC number of 2-(Bromomethyl)benzoic acid?

The EC number of 2-(Bromomethyl)benzoic acid is 630-158-1.

What is the molecular weight of 2-(Bromomethyl)benzoic acid according to PubChem?

The molecular weight of 2-(Bromomethyl)benzoic acid is 215.04 g/mol according to PubChem.

Is 2-(Bromomethyl)benzoic acid considered a canonical compound?

Yes, 2-(Bromomethyl)benzoic acid is considered a canonical compound.

Synthetic Use

Upstream Synthesis Route 1

• 118-90-1

• 7115-89-1

Reference: [1]Mohammed, Idrees; Parai, Maloy K.; Jiang, Xinpeng; Sharova, Natalia; Singh, Gatikrushna; Stevenson, Mario; Rana, Tariq M.
[ACS Medicinal Chemistry Letters, 2012, vol. 3, # 6, p. 465 - 469]

Upstream Synthesis Route 2

• 87-41-2

• 7115-89-1

Reference: [1]Chu, Man-Hei; Du, Xian; Li, Yi-Hui; Luo, Yong; Xu, Xiao-Hong; Yuan, Han; Zhen, Jing-Song
[Organic Letters, 2022, vol. 24, # 3, p. 853 - 858]
[2]McNulty, James; Keskar, Kunal
[Organic and Biomolecular Chemistry, 2013, vol. 11, # 15, p. 2404 - 2407]
[3]Salkind
[Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1914, vol. 46, p. 510][Chemisches Zentralblatt, 1914, vol. 85, # II, p. 1271]
[4]Pifferi,G.; Testa,E.
[Tetrahedron, 1966, vol. 22, p. 2107 - 2117]
[5]Saha, Tanmoy; Kand, Dnyaneshwar; Talukdar, Pinaki
[RSC Advances, 2015, vol. 5, # 2, p. 1438 - 1446]

Downstream Synthesis Route 1

• 186581-53-3
• 7115-89-1

• 2417-73-4

Reference: [1] Journal of Organic Chemistry, 1952, vol. 17, p. 1252,1255

Downstream Synthesis Route 2

• 7115-89-1

• 2417-73-4

Reference: [1] Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1914, vol. 46, p. 510[2] Chem. Zentralbl., 1914, vol. 85, # II, p. 1271

Downstream Synthesis Route 3

• 7115-89-1

• 74785-02-7

Reference: [1] Patent: US4593033, 1986, A,

Downstream Synthesis Route 4

• 64-17-5
• 7115-89-1

• 87-41-2
• 612-20-4

Reference: [1]Journal of the Chemical Society,1924,vol. 125,p. 1315

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