Cas no 39139-35-0 (1-(Difluoromethoxy)-3-isocyanatobenzene)
1-(Difluoromethoxy)-3-isocyanatobenzene is a specialized aromatic isocyanate compound featuring a difluoromethoxy substituent at the 1-position and a reactive isocyanate group at the 3-position. This structure imparts unique reactivity and stability, making it valuable in the synthesis of fluorinated polymers, agrochemicals, and pharmaceuticals. The difluoromethoxy group enhances lipophilicity and metabolic stability, while the isocyanate functionality allows for versatile crosslinking or conjugation with nucleophiles such as amines and alcohols. Its high purity and controlled reactivity make it suitable for precision applications in material science and medicinal chemistry. Proper handling is essential due to the isocyanate group's sensitivity to moisture and potential irritancy.
39139-35-0 structure
Product Name:1-(Difluoromethoxy)-3-isocyanatobenzene
CAS No:39139-35-0
MF:C8H5F2NO2
MW:185.127609014511
MDL:MFCD08444549
CID:2188872
PubChem ID:16228034
Update Time:2025-06-07
1-(Difluoromethoxy)-3-isocyanatobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-(Difluoromethoxy)-3-isocyanatobenzene
- 3-(difluoromethoxy)phenyl isocyanate
- 3-Difluormethoxy-phenylisocyanat
- 3-difluoromethoxyphenyl isocyanate
- Z228584402
- SCHEMBL1569276
- G57931
- DB-290885
- DTXSID80585486
- 3-(Difluoromethoxy)phenylisocyanate
- BS-13822
- EN300-30828
- AKOS009115100
- MFCD08444549
- 39139-35-0
- 817-028-1
- DTXCID80536251
-
- MDL： MFCD08444549
- Inchi： 1S/C8H5F2NO2/c9-8(10)13-7-3-1-2-6(4-7)11-5-12/h1-4,8H
- InChI Key： WCNRANVVUWBYON-UHFFFAOYSA-N
- SMILES： FC(OC1C=CC=C(C=1)N=C=O)F
Computed Properties
- Exact Mass: 185.02900
- Monoisotopic Mass: 185.02883473g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 204
- 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: 4
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.66000
- LogP: 2.25530
1-(Difluoromethoxy)-3-isocyanatobenzene Customs Data
- HS CODE：2929109000
- Customs Data：
China Customs Code:
2929109000Overview:
2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
1-(Difluoromethoxy)-3-isocyanatobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D447723-10mg |
1-(Difluoromethoxy)-3-isocyanatobenzene |
39139-35-0 | 10mg |
$64.00 | 2023-05-18 | ||
| TRC | D447723-25mg |
1-(Difluoromethoxy)-3-isocyanatobenzene |
39139-35-0 | 25mg |
$98.00 | 2023-05-18 | ||
| TRC | D447723-50mg |
1-(Difluoromethoxy)-3-isocyanatobenzene |
39139-35-0 | 50mg |
$150.00 | 2023-05-18 | ||
| TRC | D447723-100mg |
1-(Difluoromethoxy)-3-isocyanatobenzene |
39139-35-0 | 100mg |
$207.00 | 2023-05-18 | ||
| abcr | AB276534-100 mg |
3-(Difluoromethoxy)phenylisocyanate; . |
39139-35-0 | 100mg |
€246.00 | 2023-06-22 | ||
| Enamine | EN300-30828-0.05g |
1-(difluoromethoxy)-3-isocyanatobenzene |
39139-35-0 | 95% | 0.05g |
$135.0 | 2023-09-05 | |
| Enamine | EN300-30828-0.1g |
1-(difluoromethoxy)-3-isocyanatobenzene |
39139-35-0 | 95% | 0.1g |
$202.0 | 2023-09-05 | |
| Enamine | EN300-30828-0.25g |
1-(difluoromethoxy)-3-isocyanatobenzene |
39139-35-0 | 95% | 0.25g |
$289.0 | 2023-09-05 | |
| Enamine | EN300-30828-0.5g |
1-(difluoromethoxy)-3-isocyanatobenzene |
39139-35-0 | 95% | 0.5g |
$480.0 | 2023-09-05 | |
| Enamine | EN300-30828-1.0g |
1-(difluoromethoxy)-3-isocyanatobenzene |
39139-35-0 | 95% | 1g |
$614.0 | 2023-06-14 |
1-(Difluoromethoxy)-3-isocyanatobenzene Related Literature
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
39139-35-0 (1-(Difluoromethoxy)-3-isocyanatobenzene) Related Products
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- 58417-15-5(4-(Difluoromethoxy)phenyl Isocyanate)
- 22236-08-4(3-(Difluoromethoxy)aniline)
- 186589-03-7(Benzene,1-(difluoromethoxy)-2-isocyanato-)
- 87873-72-1(1-Isocyanato-3-phenoxybenzene)
- 182500-26-1(2-Trifluoromethoxyphenyl Isocyanate)
- 18908-07-1(3-Methoxyphenyl isocyanate)
- 59377-19-4(1-isocyanato-4-phenoxybenzene)
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