Cas no 206559-36-6 (3-Benzyloxyphenyl isothiocyanate)
3-Benzyloxyphenyl isothiocyanate is a specialized organic compound featuring an isothiocyanate functional group attached to a benzyloxy-substituted phenyl ring. This structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of thiourea derivatives and heterocyclic compounds. Its reactivity with amines and other nucleophiles enables applications in pharmaceuticals, agrochemicals, and materials science. The benzyloxy group enhances solubility in organic solvents, facilitating handling in synthetic workflows. The compound is typically used in controlled reactions due to its sensitivity to moisture and heat. Proper storage under inert conditions is recommended to maintain stability. Its purity and structural specificity make it suitable for research and industrial applications requiring precise functionalization.
206559-36-6 structure
Product Name:3-Benzyloxyphenyl isothiocyanate
CAS No:206559-36-6
MF:C14H11NOS
MW:241.308242082596
MDL:MFCD00060374
CID:92354
PubChem ID:561446
Update Time:2025-06-08
3-Benzyloxyphenyl isothiocyanate Chemical and Physical Properties
Names and Identifiers
-
- 3-Benzyloxyphenyl isothiocyanate
- 1-(benzyloxy)-3-isothiocyanatobenzene
- 1-isothiocyanato-3-phenylmethoxybenzene
- 3-Benzyloxyphenylisothiocyanate
- QJLFNDXMZQJMDL-UHFFFAOYSA-N
- Benzene, 1-isothiocyanato-3-(phenylmethoxy)-
- 3-(phenylmethoxy)benzenisothiocyanate
- VZ26378
- 1-(Benzyloxy)-3-isothiocyanatobenzene #
- 1-isothiocyanato-3-phenylmethoxy-benzene
- 3-(Benzyloxy)phenyl Isothiocyanate
- 3-benzyloxyphenyl isothiocyanate, AldrichCPR
- SCHEMBL1399693
- SY062277
- FT-0615106
- BP-11168
- DTXSID50340089
- 206559-36-6
- MFCD00060374
- D82077
- AKOS005207275
- A814772
- AS-11548
- DB-022291
-
- MDL： MFCD00060374
- Inchi： 1S/C14H11NOS/c17-11-15-13-7-4-8-14(9-13)16-10-12-5-2-1-3-6-12/h1-9H,10H2
- InChI Key： QJLFNDXMZQJMDL-UHFFFAOYSA-N
- SMILES： S=C=NC1=CC=CC(=C1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 241.05600
- Monoisotopic Mass: 241.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 269
- 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: 5.2
- Topological Polar Surface Area: 53.7
Experimental Properties
- Color/Form: Yellow solid
- Density: 1.09
- Melting Point: 45-48°C
- Boiling Point: 398.3°C at 760 mmHg
- Flash Point: 194.7°C
- Refractive Index: 1.582
- PSA: 53.68000
- LogP: 3.99990
- Sensitiveness: Moisture Sensitive
- Solubility: Hydrolyzable
3-Benzyloxyphenyl isothiocyanate Security Information
- Signal Word：Danger
- Hazard Statement： H302+H312+H332; H315; H317; H318; H335; H410
- Warning Statement： P261; P264; P270; P271; P273; P280; P301+P312; P302+P352; P304+P340; P305+P351+P338; P310; P322; P330; P333+P313; P362; P391; P403+P233; P405; P501
- Hazardous Material transportation number：UN2811
- Hazard Category Code： 20/22-36/37/38-50/53-43-41-37/38-20/21/22
- Safety Instruction： S26-S36/37/39
-
Hazardous Material Identification：
- HazardClass：9
- PackingGroup：None
- Storage Condition：Store at room temperature
- Risk Phrases：R20/22; R36/37/38
- Packing Group：III
- Safety Term：6.1
- Packing Group：III
- Hazard Level：6.1
3-Benzyloxyphenyl isothiocyanate Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. 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:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
3-Benzyloxyphenyl isothiocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 008745-100mg |
3-Benzyloxyphenyl isothiocyanate |
206559-36-6 | 98% | 100mg |
￡30.00 | 2022-03-01 | |
| Fluorochem | 008745-1g |
3-Benzyloxyphenyl isothiocyanate |
206559-36-6 | 98% | 1g |
￡51.00 | 2022-03-01 | |
| Ambeed | A521551-250mg |
3-Benzyloxyphenylisothiocyanate |
206559-36-6 | 97% | 250mg |
$7.0 | 2025-02-21 | |
| Ambeed | A521551-1g |
3-Benzyloxyphenylisothiocyanate |
206559-36-6 | 97% | 1g |
$14.0 | 2025-02-21 | |
| Ambeed | A521551-5g |
3-Benzyloxyphenylisothiocyanate |
206559-36-6 | 97% | 5g |
$57.0 | 2025-02-21 | |
| Ambeed | A521551-25g |
3-Benzyloxyphenylisothiocyanate |
206559-36-6 | 97% | 25g |
$191.0 | 2025-02-21 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 056548-1g |
3-Benzyloxyphenyl isothiocyanate |
206559-36-6 | 98% | 1g |
845.0CNY | 2021-07-12 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | L19242-1g |
3-Benzyloxyphenyl isothiocyanate, 97% |
206559-36-6 | 97% | 1g |
￥2977.00 | 2023-02-23 | |
| A FA AI SHA ， SAI MO FEI SHI ER KE JI QI XIA GONG SI | L19242-250mg |
3-Benzyloxyphenyl isothiocyanate, 97% |
206559-36-6 | 97% | 250mg |
￥895.00 | 2023-02-23 | |
| abcr | AB149354-1 g |
3-Benzyloxyphenyl isothiocyanate, 98%; . |
206559-36-6 | 98% | 1g |
€134.90 | 2023-06-23 |
3-Benzyloxyphenyl isothiocyanate Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
206559-36-6 (3-Benzyloxyphenyl isothiocyanate) Related Products
- 3701-44-8(1-ethoxy-3-isothiocyanatobenzene)
- 914638-41-8(Benzene, 1-isothiocyanato-2-(phenylmethoxy)-)
- 3460-49-9(4-Ethoxyphenyl isothiocyanate)
- 1484-26-0(3-(benzyloxy)aniline)
- 105687-96-5(Benzene, 1-isocyanato-4-[(4-isocyanatophenoxy)methyl]-)
- 50528-73-9(4-Benzyloxyphenyl isocyanate)
- 139768-71-1(4-Benzyloxyphenyl isothiocyanate)
- 19355-98-7((4-isothiocyanatophenyl) 4-methylbenzoate)
- 110030-63-2(1-(benzyloxy)-3-isocyanatobenzene)
- 71219-80-2(1-isocyanato-3-(phenoxymethyl)benzene)
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