Cas no 96557-30-1 (2-(2-bromophenyl)acetaldehyde)

2-(2-bromophenyl)acetaldehyde structure
2-(2-bromophenyl)acetaldehyde structure
Product Name:2-(2-bromophenyl)acetaldehyde
CAS No:96557-30-1
MF:C8H7BrO
MW:199.044581651688
MDL:MFCD02261726
CID:860335
PubChem ID:11424180
Update Time:2024-10-25

2-(2-bromophenyl)acetaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-(2-bromophenyl)acetaldehyde
    • (2-Bromophenyl)acetaldehyde
    • 1-Bromo-2-(formylmethyl)benzene
    • 2-Bromobenzeneacetaldehyde
    • Benzeneacetaldehyde,2-bromo
    • 2-Bromobenzeneacetaldehyde (ACI)
    • Benzeneacetaldehyde, 2-bromo-
    • 96557-30-1
    • F8883-7724
    • DB-080430
    • 2-Bromobenzeneacetaldehyde; 1-Bromo-2-(formylmethyl)benzene;
    • A1-15200
    • 2-(2-bromophenyl) acetaldehyde
    • SCHEMBL166137
    • 2-(2-bromophenyl)acetaldehyde, AldrichCPR
    • EN300-123468
    • (2-Bromo-phenyl)-acetaldehyde
    • AXBFWAWZAFWFQW-UHFFFAOYSA-N
    • Z1183459130
    • BS-50570
    • DTXSID20465415
    • (2-Bromophenyl)acetaldehyde, >90%
    • W16824
    • AKOS013283562
    • CS-0038248
    • 2-bromophenyl acetaldehyde
    • MDL: MFCD02261726
    • Inchi: 1S/C8H7BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2
    • InChI Key: AXBFWAWZAFWFQW-UHFFFAOYSA-N
    • SMILES: O=CCC1C(Br)=CC=CC=1

Computed Properties

  • Exact Mass: 197.96800
  • Monoisotopic Mass: 197.96803g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 114
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.466
  • Boiling Point: 262.1 °C at 760 mmHg
  • Flash Point: 95.8 °C
  • PSA: 17.07000
  • LogP: 2.19050

2-(2-bromophenyl)acetaldehyde Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

2-(2-bromophenyl)acetaldehyde Customs Data

  • HS CODE:2913000090
  • Customs Data:

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

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2-(2-bromophenyl)acetaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Ethanol ;  10 min, 25 °C
1.2 Reagents: Sulfuric acid Solvents: Pentane ,  Water ;  1 h, 0 °C; 0 °C → 25 °C; 3 h, 25 °C
Reference
Total Synthesis of (±)-Armepavines and (±)-Nuciferines From (2-Nitroethenyl)benzene Derivatives
Chang, Chia-Fu; Huang, Chu-Yun; Huang, Yu-Chao; Lin, Kuan-Yu; Lee, Yean-Jang; et al, Synthetic Communications, 2010, 40(23), 3452-3466

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Tetrahydrofuran
1.2 Reagents: Ammonium chloride
1.3 Solvents: Diethyl ether
1.4 Reagents: Formic acid Solvents: Dichloromethane
1.5 Solvents: Water
1.6 Solvents: Dichloromethane
Reference
A Novel Straightforward Synthesis of Enantiopure Tetrahydroisoquinoline Alkaloids
Pedrosa, Rafael; Andres, Celia; Iglesias, Jesus M., Journal of Organic Chemistry, 2001, 66(1), 243-250

Production Method 3

Reaction Conditions
1.1 Reagents: Diisobutylaluminum hydride Solvents: Toluene ;  -78 °C; 2 h, -78 °C
1.2 Solvents: Methanol ;  -78 °C; 1 h, -78 °C; -78 °C → rt; 30 min, rt
Reference
Catalyst for aromatic or vinylic C-O, C-N, and C-C bond formation
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium nitrite ,  Hydrochloric acid Solvents: Acetone ,  Water ;  1.3 min, 0 °C
1.2 Catalysts: Ferrocene Solvents: Acetone ;  8.5 min, 0 °C
1.3 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized, cooled
Reference
Continuous-Flow Synthesis of Monoarylated Acetaldehydes Using Aryldiazonium Salts
Chernyak, Natalia; Buchwald, Stephen L., Journal of the American Chemical Society, 2012, 134(30), 12466-12469

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide Solvents: Tetrahydrofuran ;  20 min, 0 °C; 45 min, 0 °C
1.2 10 min, 0 °C; 1 h, rt
1.3 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran ;  4 h, reflux
Reference
One-Pot Synthesis of Aminoenone via Direct Reaction of the Chloroalkyl Enone with NaN3 - Rapid Access to Polycyclic Alkaloids
Zhao, Yu-Ming; Gu, Peiming; Tu, Yong-Qiang; Zhang, Hai-Jun; Zhang, Qing-Wei; et al, Journal of Organic Chemistry, 2010, 75(15), 5289-5295

Production Method 6

Reaction Conditions
1.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  5 h, rt
Reference
Copper(I)-catalyzed asymmetric [3 + 2] cycloaddition of N-ester acylhydrazones and β-trifluoromethyl-α,β-unsaturated ketones
Zhu, Bo; Fan, Huihui; Ding, Yanan; Zhai, Yubing; Wang, Le; et al, Organic Chemistry Frontiers, 2022, 9(20), 5544-5550

Production Method 7

Reaction Conditions
Reference
A new method for the preparation of 3-alkoxy- and 3-hydroxy-3,4-dihydro-1H-2-benzopyrans
Wuensch, Bernhard, Archiv der Pharmazie (Weinheim, 1990, 323(8), 493-9

Production Method 8

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ,  Water
Reference
Studies on the development of synthetic routes to enediynes
Comanita, Bogdan Mihai, 1997, , 58(10),

Production Method 9

Reaction Conditions
1.1 Reagents: Pyridinium chlorochromate Solvents: Dichloromethane ;  15 h, rt
Reference
(Benzofuranyl)aminoalkyl-substituted boronic acid derivatives and their preparation and use for the treatment of viral infections
, World Intellectual Property Organization, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Diisobutylaluminum hydride Solvents: Toluene
Reference
Air stable, sterically hindered ferrocenyl dialkylphosphines for palladium-catalyzed C-C, C-N, and C-O bond-forming cross-couplings
Kataoka, Noriyasu; Shelby, Quinetta; Stambuli, James P.; Hartwig, John F., Journal of Organic Chemistry, 2002, 67(16), 5553-5566

Production Method 11

Reaction Conditions
1.1 180 - 250 °C
Reference
Synthesis of 1'-(carbo-t-butoxy) spiro[isochroman-1,4'-piperidinyl]-3-carboxylic acid
Anjaneyulu, K.; Ram, B.; Wagh, P. B.; Zubaidha, Pudukulathan, Chemistry Journal, 2012, 2(3), 111-117

Production Method 12

Reaction Conditions
1.1 Reagents: Dess-Martin periodinane Solvents: Dichloromethane ;  overnight, rt
Reference
Preparation of 1,2,3,4-tetrahydro-1,8-naphthyridine derivatives as inhibitors of (alpha-v)(beta-6) integrin
, World Intellectual Property Organization, , ,

Production Method 13

Reaction Conditions
1.1 Reagents: Diisobutylaluminum hydride Solvents: Toluene ;  -78 °C; 4 h, -78 °C
1.2 Reagents: Monopotassium monosodium tartrate tetrahydrate Solvents: Water ;  -78 °C → rt; overnight, rt
Reference
Intramolecular Anti-Carbolithiation of Alkynes: Stereo-Directing Effect of Lithium-Coordinating Substituents
Ly, Kim Uyen; Boussonniere, Anne; Castanet, Anne-Sophie, European Journal of Organic Chemistry, 2022, 2022(2),

Production Method 14

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  0 °C; 30 min, 0 °C
1.2 0 °C; 24 h, rt
1.3 Reagents: Ammonium chloride Solvents: Water ;  rt
1.4 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran ,  Water ;  2 - 6 h, reflux
Reference
Indoles Synthesized from Amines via Copper Catalysis
Besandre, Ronald; Jaimes, Miguel; May, Jeremy A., Organic Letters, 2013, 15(7), 1666-1669

Production Method 15

Reaction Conditions
1.1 Reagents: Dess-Martin periodinane Solvents: Dichloromethane ;  15 min, rt
1.2 1 h, rt
Reference
Facile synthesis of 4,5,6a,7-tetrahydrodibenzo[de,g]chromene heterocycles and their transformation to phenanthrene alkaloids
Kapadia, Nirav; Harding, Wayne, Tetrahedron, 2013, 69(42), 8914-8920

Production Method 16

Reaction Conditions
1.1 Solvents: Dichloromethane
Reference
Silicon-terminated Domino-Heck-Reaktions and Enantioselective Syntheses
Raschke, Thomas, 1996, , ,

2-(2-bromophenyl)acetaldehyde Raw materials

2-(2-bromophenyl)acetaldehyde Preparation Products

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