4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid
- CAS No.
- 85559-46-2
- Chemical Name:
- 4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid
- Synonyms
- 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid;131666;TDBA 25 MG;TDBA 100 MG;-3H-diazirin-3-yl);CF3-Diazirine-Ph-COOH;4-CF3-diazirine-benzoic acid;4-(3-trifluoromethyldiazirino)benzoic acid;4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid;3-(4-Carboxyphenyl)-3-trifluoromethyldiazirine
- CBNumber:
- CB4749682
- Molecular Formula:
- C9H5F3N2O2
- Molecular Weight:
- 230.14
- MDL Number:
- MFCD00236809
- MOL File:
- 85559-46-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 110-112°C |
|---|---|
| Boiling point | 298.6±50.0 °C(Predicted) |
| Density | 1.59±0.1 g/cm3 (20 ºC 760 Torr) |
| storage temp. | Store at +2°C to +8°C. |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.15±0.10(Predicted) |
| color | White to Pale Beige |
| Major Application | peptide synthesis |
| InChI | InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16) |
| InChIKey | CZPAJVBVULSLGG-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(C2(C(F)(F)F)N=N2)C=C1 |
| FDA UNII | ES9VAY6FMP |
| UNSPSC Code | 12352005 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319 |
| Precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| WGK Germany | WGK 3 |
| HS Code | 2933.99.8290 |
| Storage Class | 11 - Combustible Solids |
4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid price More Price(54)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 8.51093 | TDBA 4-(3-Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid Novabiochem? | 85559-46-2 | 25MG | $405 | 2026-04-30 | Buy |
| Sigma-Aldrich | 8.51093 | TDBA 4-(3-Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid Novabiochem? | 85559-46-2 | 100MG | $1050 | 2023-06-20 | Buy |
| Sigma-Aldrich | 8.51093 | TDBA 4-(3-Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid Novabiochem? | 85559-46-2 | 250MG | $2480 | 2023-01-07 | Buy |
| TCI Chemical | T2820 | 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid >98.0%(HPLC)(T) | 85559-46-2 | 200mg | $186 | 2026-04-30 | Buy |
| TCI Chemical | T2820 | 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid >98.0%(HPLC)(T) | 85559-46-2 | 1g | $625 | 2026-04-30 | Buy |
4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid Chemical Properties, Uses, Production
Chemical Properties
White Solid
Uses
A highly photolabile label fixable to biochemical agents.
Uses
4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid is a photoreactive aromatic diazirine.
General Description
A highly sensitive photocross-linker.activated at 300 nm for the preparation of photoactivatable biological probes [1].
reaction suitability
reaction type: Photoclick reactions
Synthesis
Conversion of the bromo benzene derivative (I) to its Grignard compound and subsequent addition of N-trifluoroacetylpiperidine (II) gives the trifluoroacetophenone (III) which is converted to its oxime tosylate (V). This reacts with liquid ammonia to give the diaziridine ( VI). Further hypochlorite oxidation and cleavage of the oxazoline ring finally yields the desired acid (4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid, VIII) mentioned in the title.[1]
References
[1] Y. HATANAKA Y. K H Nakayama. An improved synthesis of 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic acid for photoaffinity labeling[J]. Heterocycles, 1993, 35 1: 997-1004. DOI:10.3987/COM-92-S(T)93.
4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid Preparation Products And Raw materials
4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Tianjin shanhaijing medicine technology co., ltd | 19129375004; 15321929114 | yangtzechem@163.com | China | 501 | 58 |
| Huanuo Pharmaceutical Technology (Guangxi) Co., Ltd | 13005928603 | 211017228@qq.com | China | 9491 | 58 |
| Tianjin Kaimu Chemical Technology Co., LTD | 13116033142 13116033142 | kaimuchem@163.com | China | 752 | 58 |
| Ainuo PharmaTech (Tianjin), Inc. | 13269213627 | 275534894@qq.com | China | 499 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
| Chemsky（shanghai）International Co.,Ltd. | 021-50135380 | shchemsky@sina.com | China | 32273 | 50 |
| TOKYO CHEMICAL INDUSTRY CO., LTD. | 03-36680489 | Sales-JP@TCIchemicals.com | Japan | 28364 | 80 |
| 9ding chemical ( Shanghai) Limited | 4009209199 | sales@9dingchem.com | China | 22497 | 55 |
View Latest Price from 4-(1-Azi-2,2,2-trifluoroethyl)benzoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2025-06-07 | 4-CF3-diazirine-benzoic acid
85559-46-2
|
1g | >99.00% | 1g | Xian confluore Biological Technology Co., Ltd. | ||
 |
2025-04-04 | 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID
85559-46-2
|
1kg | 98% | 1Ton | Henan Aochuang Chemical Co.,Ltd. |
-
- 4-CF3-diazirine-benzoic acid
85559-46-2
- $0.00
- >99.00%
- Xian confluore Biological Technology Co., Ltd.
-
- 4-(1-AZI-2,2,2-TRIFLUOROETHYL)BENZOIC ACID
85559-46-2
- 98%
- Henan Aochuang Chemical Co.,Ltd.
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