- Halogen-exchange fluorination of chlorinated benzaldehydes and diphenyl ketones promoted by microwaveLiang, Zhengyong; Lu, Chun-xu, Advanced Materials Research (Durnten-Zurich, 2011, 266, 292-295
Cas no 96516-31-3 (2-Chloro-3-fluorobenzaldehyde)
2-Chloro-3-fluorobenzaldehyde (CAS: 40180-14-9) is a fluorinated and chlorinated benzaldehyde derivative used as a versatile intermediate in organic synthesis. Its key advantages include its role in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals due to the reactive aldehyde group and halogen substituents, which facilitate further functionalization. The compound's electron-withdrawing properties enhance its utility in cross-coupling reactions and nucleophilic substitutions. It exhibits high purity and stability under standard conditions, making it suitable for precise synthetic applications. The presence of both chloro and fluoro groups allows for selective modifications, enabling tailored molecular designs in complex chemical processes.
2-Chloro-3-fluorobenzaldehyde structure
Product Name:2-Chloro-3-fluorobenzaldehyde
CAS No:96516-31-3
MF:C7H4ClFO
MW:158.557464599609
MDL:MFCD07782053
CID:803126
PubChem ID:14944905
Update Time:2025-05-28
2-Chloro-3-fluorobenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-3-fluorobenzaldehyde
- Benzaldehyde, 2-chloro-3-fluoro-
- 2-Chloro-3-fluoro-benzaldehyde
- C7H4ClFO
- PubChem1432
- 2-chlorofluorobenzaldehyde
- KSC486I8L
- PIZVRLVKXWEMGO-UHFFFAOYSA-N
- WT1688
- CL8262
- VZ24190
- TRA0000922
- LS10544
- CM11875
- AS01437
- AM62155
- SY030967
- EN001715
- ST2409785
- AB0031103
- X4035
- BB 02
- 2-Chloro-3-fluorobenzaldehyde (ACI)
- CS-W007812
- DTXSID00565846
- AKOS005063859
- SCHEMBL561472
- Z1198174775
- starbld0008954
- AC-2298
- DB-005213
- 96516-31-3
- GS-4435
- MFCD07782053
- 3-Fluoro-2-chlorobenzaldehyde
- EN300-91976
- J-508652
-
- MDL: MFCD07782053
- Inchi: 1S/C7H4ClFO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H
- InChI Key: PIZVRLVKXWEMGO-UHFFFAOYSA-N
- SMILES: O=CC1C(Cl)=C(F)C=CC=1
Computed Properties
- Exact Mass: 157.99300
- Monoisotopic Mass: 157.9934706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 129
- 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
- Topological Polar Surface Area: 17.1
- XLogP3: 2.1
Experimental Properties
- Color/Form: No data available
- Density: 1.352±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 29-33°C
- Boiling Point: 211.0±20.0 oC (760 Torr),
- Flash Point: 81.4±21.8 oC,
- Refractive Index: 1.56
- Solubility: Very slightly soluble (0.13 g/l) (25 o C),
- PSA: 17.07000
- LogP: 2.29160
- Sensitiveness: Air Sensitive
2-Chloro-3-fluorobenzaldehyde Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Hazardous Material Identification:
- Storage Condition:Store long-term at 2-8°C
2-Chloro-3-fluorobenzaldehyde Customs Data
- HS CODE:2913000090
- Customs Data:
China Customs Code:
2913000090Overview:
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%
2-Chloro-3-fluorobenzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-BZ464-1g |
2-Chloro-3-fluorobenzaldehyde |
96516-31-3 | 97% | 1g |
89.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-BZ464-25g |
2-Chloro-3-fluorobenzaldehyde |
96516-31-3 | 97% | 25g |
1055.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-BZ464-5g |
2-Chloro-3-fluorobenzaldehyde |
96516-31-3 | 97% | 5g |
261.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-BZ464-200mg |
2-Chloro-3-fluorobenzaldehyde |
96516-31-3 | 97% | 200mg |
46.0CNY | 2021-08-04 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C806234-25g |
2-Chloro-3-fluorobenzaldehyde |
96516-31-3 | 98% | 25g |
637.20 | 2021-05-17 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R005931-1g |
2-Chloro-3-fluorobenzaldehyde |
96516-31-3 | 95% | 1g |
¥30 | 2024-07-19 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R005931-250mg |
2-Chloro-3-fluorobenzaldehyde |
96516-31-3 | 95% | 250mg |
¥29 | 2024-07-19 | |
| TRC | C585758-10mg |
2-Chloro-3-fluorobenzaldehyde |
96516-31-3 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C585758-50mg |
2-Chloro-3-fluorobenzaldehyde |
96516-31-3 | 50mg |
$ 65.00 | 2022-06-06 | ||
| TRC | C585758-100mg |
2-Chloro-3-fluorobenzaldehyde |
96516-31-3 | 100mg |
$ 80.00 | 2022-06-06 |
2-Chloro-3-fluorobenzaldehyde Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Potassium fluoride Catalysts: Tetraphenylphosphonium bromide , Tetraspiro[21,22,23,24-tetraoxapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-3,5… Solvents: 3,4-Dichlorotoluene ; 2 h, 213 °C
Reference
Production Method 2
Reaction Conditions
Reference
- Preparation of dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases, World Intellectual Property Organization, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: (T-4)-Trihydro(tetrahydrofuran)boron Solvents: Tetrahydrofuran ; 0 °C; overnight, reflux; cooled
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate , Water
1.3 Reagents: Dimethyl sulfoxide , Oxalyl chloride Solvents: Dichloromethane ; 5 min, -78 °C
1.4 Solvents: Dichloromethane ; -78 °C; 1 h, -40 °C
1.5 Reagents: Triethylamine ; -40 °C → rt
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate , Water
1.3 Reagents: Dimethyl sulfoxide , Oxalyl chloride Solvents: Dichloromethane ; 5 min, -78 °C
1.4 Solvents: Dichloromethane ; -78 °C; 1 h, -40 °C
1.5 Reagents: Triethylamine ; -40 °C → rt
Reference
- Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitorsIchikawa, Masanori; Yokomizo, Aki; Itoh, Masao; Usui, Hiroyuki; Shimizu, Hironari; et al, Bioorganic & Medicinal Chemistry, 2011, 19(6), 1930-1949
Production Method 4
Reaction Conditions
1.1 Reagents: Chromium trioxide
Reference
- Synthesis and antihypertensive activity of 1,4-dihydropyridine derivatives with a 4-(disubstituted phenyl) ring and an aminoalkyl ester group: highly potent and long-lasting calcium antagonistsKanno, Hideo; Yamaguchi, Hisao; Okamiya, Yoshiaki; Sunakawa, Kiyotaka; Takeshita, Toru; et al, Chemical & Pharmaceutical Bulletin, 1992, 40(8), 2049-54
Production Method 5
Reaction Conditions
Reference
- Design, Synthesis, and Evaluation of Tetrahydropyrrolo[1,2-c]pyrimidines as Capsid Assembly Inhibitors for HBV TreatmentLi, Xiaolin; Zhou, Kai; He, Haiying; Zhou, Qiong; Sun, Ya; et al, ACS Medicinal Chemistry Letters, 2017, 8(9), 969-974
Production Method 6
Reaction Conditions
Reference
- Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors [Erratum to document cited in CA154:564965]Ichikawa, Masanori; Yokomizo, Aki; Itoh, Masao; Usui, Hiroyuki; Shimizu, Hironari; et al, Bioorganic & Medicinal Chemistry, 2014, 22(11),
Production Method 7
Production Method 8
Reaction Conditions
Reference
- Dihydropyridinedicarboxylate cardiovascular agents, European Patent Organization, , ,
Production Method 9
Production Method 10
Reaction Conditions
Reference
- 1,4-Dihydropyridine derivatives, and their pharmaceutical use, European Patent Organization, , ,
2-Chloro-3-fluorobenzaldehyde Raw materials
2-Chloro-3-fluorobenzaldehyde Preparation Products
2-Chloro-3-fluorobenzaldehyde Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
96516-31-3 (2-Chloro-3-fluorobenzaldehyde) Related Products
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- 1182709-86-9(2,6-Dichloro-4-fluorobenzaldehyde)
- 261762-39-4(2-Chloro-3,6-difluorobenzaldehyde)
- 165047-23-4(2-Chloro-4,5-difluorobenzaldehyde)
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- 5527-95-7(4-Chloro-3-Fluorobenzaldehyde)
- 1261869-07-1(2-Chloro-3,4-difluorobenzaldehyde)
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