Cas no 51163-28-1 (1-chloro-2-fluoro-4-isocyanatobenzene)
1-Chloro-2-fluoro-4-isocyanatobenzene is a versatile aromatic isocyanate compound characterized by its reactive isocyanate (-NCO) functional group and halogen substituents. The presence of both chloro and fluoro groups enhances its reactivity and selectivity in chemical synthesis, making it a valuable intermediate in pharmaceuticals, agrochemicals, and specialty polymers. Its electron-withdrawing substituents facilitate nucleophilic substitution reactions, while the isocyanate group enables participation in urethane, urea, or amide formation. The compound's stability and well-defined reactivity profile ensure consistent performance in multi-step synthetic processes. Suitable for controlled functionalization, it is particularly useful in constructing complex heterocyclic or polyfunctional aromatic systems under mild conditions.
51163-28-1 structure
Product Name:1-chloro-2-fluoro-4-isocyanatobenzene
CAS No:51163-28-1
MF:C7H3ClFNO
MW:171.556224107742
MDL:MFCD12546906
CID:934881
PubChem ID:13003365
Update Time:2025-06-07
1-chloro-2-fluoro-4-isocyanatobenzene Chemical and Physical Properties
Names and Identifiers
-
- 4-CHLORO-2-FLUOROPHENYL ISOCYANATE 97
- 4-CHLORO-2-FLUORO PHENYL ISOCYANATE
- 4-Chloro-2-fluoro-1-isocyanatobenzene
- 1-chloro-2-fluoro-4-isocyanatobenzene
- 3-Fluor-4-chlorphenylisocyanat
- 1-Chloro-2-fluoro-4-isocyanato-benzene
- 4-chloro-3-fluoro-phenylisocyanate
- G22483
- Benzene, 1-chloro-2-fluoro-4-isocyanato-
- 51163-28-1
- SCHEMBL3831454
- AKOS012410806
- EN300-275152
- MFCD12546906
- LCBGIAVOILEJRZ-UHFFFAOYSA-N
-
- MDL： MFCD12546906
- Inchi： 1S/C7H3ClFNO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
- InChI Key： LCBGIAVOILEJRZ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1F)N=C=O
Computed Properties
- Exact Mass: 170.98900
- Monoisotopic Mass: 170.9887196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 181
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.5
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- Color/Form: liquid
- Density: 1.354?g/mL?at 25?°C(lit.)
- Boiling Point: 201-202?°C(lit.)
- Flash Point: Degrees Fahrenheit:185°F
Degrees Celsius:85°C - Refractive Index: n20/D 1.5400(lit.)
- PSA: 29.43000
- LogP: 2.44640
- Solubility: Not available
1-chloro-2-fluoro-4-isocyanatobenzene Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H315-H319-H334-H335
- Warning Statement： P261-P305+P351+P338-P342+P311
- WGK Germany：3
- Hazard Category Code： 36/37/38-42
- Safety Instruction： S23; S26; S45
-
Hazardous Material Identification：
- Storage Condition：2-8°C
- Risk Phrases：R36/37/38; R42
1-chloro-2-fluoro-4-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-chloro-2-fluoro-4-isocyanatobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 569100-1G |
1-chloro-2-fluoro-4-isocyanatobenzene |
51163-28-1 | 97% | 1G |
￥951.91 | 2022-02-24 | |
| abcr | AB465590-1 g |
1-Chloro-2-fluoro-4-isocyanatobenzene, 95%; . |
51163-28-1 | 95% | 1g |
€75.00 | 2023-07-18 | |
| Enamine | EN300-275152-0.05g |
1-chloro-2-fluoro-4-isocyanatobenzene |
51163-28-1 | 95.0% | 0.05g |
$43.0 | 2025-03-20 | |
| Enamine | EN300-275152-0.1g |
1-chloro-2-fluoro-4-isocyanatobenzene |
51163-28-1 | 95.0% | 0.1g |
$64.0 | 2025-03-20 | |
| Enamine | EN300-275152-0.25g |
1-chloro-2-fluoro-4-isocyanatobenzene |
51163-28-1 | 95.0% | 0.25g |
$91.0 | 2025-03-20 | |
| Enamine | EN300-275152-0.5g |
1-chloro-2-fluoro-4-isocyanatobenzene |
51163-28-1 | 95.0% | 0.5g |
$144.0 | 2025-03-20 | |
| Enamine | EN300-275152-1.0g |
1-chloro-2-fluoro-4-isocyanatobenzene |
51163-28-1 | 95.0% | 1.0g |
$185.0 | 2025-03-20 | |
| Enamine | EN300-275152-2.5g |
1-chloro-2-fluoro-4-isocyanatobenzene |
51163-28-1 | 95.0% | 2.5g |
$370.0 | 2025-03-20 | |
| Enamine | EN300-275152-5.0g |
1-chloro-2-fluoro-4-isocyanatobenzene |
51163-28-1 | 95.0% | 5.0g |
$739.0 | 2025-03-20 | |
| Enamine | EN300-275152-10.0g |
1-chloro-2-fluoro-4-isocyanatobenzene |
51163-28-1 | 95.0% | 10.0g |
$1478.0 | 2025-03-20 |
1-chloro-2-fluoro-4-isocyanatobenzene Related Literature
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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