Cas no 4404-45-9 (Hexyl Isothiocyanate)
Hexyl Isothiocyanate structure
Product Name:Hexyl Isothiocyanate
CAS No:4404-45-9
MF:C7H13NS
MW:143.24982047081
MDL:MFCD00014445
CID:85023
PubChem ID:78120
Update Time:2025-09-24
Hexyl Isothiocyanate Chemical and Physical Properties
Names and Identifiers
-
- n-Hexyl isothiocyanate
- 1-Hexyl isothiocyanate
- 1-Isothiocyanatohexane
- Hexyl isothiocyanate
- 1-Isothiocyanatohexane,n-Hexyl mustard oil
- Isothiocyanic acid hexyl ester
- DTXSID50196023
- HEXYL ISOTHIOCYANATE [FHFI]
- 1-Isothiocyanatohexane #
- Hexylisothiocyanate
- Q27255537
- AKOS001044539
- L-Leucinebenzylesterhydrochloride
- NS00031384
- n-hexylisothiocyanate
- Hexane, 1-isothiocyanato-
- MFCD00014445
- 1-Isothiocyanato-hexane
- Z56899052
- FT-0607993
- Hexyl isothiocyanate, 95%
- UNII-2S7C3GA0Z5
- HEXYL ISOTHIOCYANATE, 1-
- EINECS 224-549-2
- CHEMBL298717
- FS-3912
- D95721
- 4404-45-9
- CCRIS 7549
- 2S7C3GA0Z5
- SCHEMBL331230
- FEMA NO. 4422
- EN300-17186
- Isothiocyanic acid, hexyl ester
- DTXCID60118514
- DB-051186
- Hexyl Isothiocyanate
-
- MDL： MFCD00014445
- Inchi： 1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
- InChI Key： WXYAXKKXIGHXDS-UHFFFAOYSA-N
- SMILES： S=C=NCCCCCC
- BRN： 1751837
Computed Properties
- Exact Mass: 143.07700
- Monoisotopic Mass: 143.077
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 95.1
- 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: 3.9
- Topological Polar Surface Area: 44.4A^2
Experimental Properties
- Color/Form: colorless liquid
- Density: 0.929?g/mL?at 25?°C(lit.)
- Boiling Point: 136-138?°C/96?mmHg(lit.)
- Flash Point: Degrees Fahrenheit:195.8°F
Degrees Celsius:91°C - Refractive Index: n20/D 1.493(lit.)
- PSA: 44.45000
- LogP: 2.66950
- Solubility: Uncertain
- Sensitiveness: Moisture Sensitive
- FEMA: 4422 | HEXYL ISOTHIOCYANATE
Hexyl Isothiocyanate Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H301,H311,H315,H319,H331,H335
- Warning Statement： P261,P280,P301+P310,P305+P351+P338,P311
- Hazardous Material transportation number：2810
- WGK Germany：3
- Hazard Category Code： 23/24/25-36/37/38
- Safety Instruction： S23-S26-S36/37/39-S45
- FLUKA BRAND F CODES：10-21
-
Hazardous Material Identification：
- Packing Group：III
- Hazard Level：6.1
- Risk Phrases：R20/21/22; R36/37/38
- Packing Group：III
- Safety Term：6.1
- HazardClass：6.1
- PackingGroup：III
Hexyl 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%
Hexyl Isothiocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-LX502-20g |
Hexyl Isothiocyanate |
4404-45-9 | 98+% | 20g |
711.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-LX502-1g |
Hexyl Isothiocyanate |
4404-45-9 | 98+% | 1g |
50.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-LX502-5g |
Hexyl Isothiocyanate |
4404-45-9 | 98+% | 5g |
196.0CNY | 2021-08-04 | |
| TRC | H290130-100mg |
Hexyl Isothiocyanate |
4404-45-9 | 100mg |
$ 50.00 | 2022-06-02 | ||
| TRC | H290130-500mg |
Hexyl Isothiocyanate |
4404-45-9 | 500mg |
$ 65.00 | 2022-06-02 | ||
| TRC | H290130-1g |
Hexyl Isothiocyanate |
4404-45-9 | 1g |
$ 80.00 | 2022-06-02 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H140517-5g |
Hexyl Isothiocyanate |
4404-45-9 | 97% | 5g |
￥111.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H140517-100g |
Hexyl Isothiocyanate |
4404-45-9 | 97% | 100g |
￥1420.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | H140517-25g |
Hexyl Isothiocyanate |
4404-45-9 | 97% | 25g |
￥444.90 | 2023-09-02 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R022505-25g |
Hexyl Isothiocyanate |
4404-45-9 | 97% | 25g |
￥526 | 2024-05-23 |
Hexyl Isothiocyanate Related Literature
-
Cally J. E. Haynes,Nathalie Busschaert,Isabelle L. Kirby,Julie Herniman,Mark E. Light,Neil J. Wells,Igor Marques,Vítor Félix,Philip A. Gale Org. Biomol. Chem. 2014 12 62
-
M. Talha Gokmen,Jérémy Brassinne,R. Arun Prasath,Filip E. Du Prez Chem. Commun. 2011 47 4652
-
Y. Akdogan,M. Emrullahoglu,D. Tatlidil,M. Ucuncu,G. Cakan-Akdogan Phys. Chem. Chem. Phys. 2016 18 22531
-
Drew Bowie,Paria Parvizi,Dustin Duncan,Christopher J. Nelson,Thomas M. Fyles Org. Biomol. Chem. 2013 11 4359
-
Zhicheng Fu,Wenhao Yuan,Ning Chen,Zhanhui Yang,Jiaxi Xu Green Chem. 2018 20 4484
4404-45-9 (Hexyl Isothiocyanate) Related Products
- 4430-45-9(Octyl isothiocyanate)
- 592-82-5(n-Butyl isothiocyanate)
- 2877-26-1(octadecyl isothiocyanate)
- 4426-83-9(1-Isothiocyanatoheptane)
- 24540-94-1(Decyl isothiocyanate)
- 4430-43-7(Nonyl Isothiocyanate)
- 4430-51-7(1,4-Butane diisothiocyanate)
- 629-12-9(pentyl isothiocyanate)
- 1072-32-8(Dodecyl Isothiocyanate)
- 3224-48-4(n-Tetradecyl isothiocyanate)
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