1-Isothiocyanatobutane
1-Isothiocyanatobutane structure
|
Common Name | 1-Isothiocyanatobutane | ||
|---|---|---|---|---|
| CAS Number | 592-82-5 | Molecular Weight | 115.197 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 168.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C5H9NS | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 66.1±0.0 °C | |
| Symbol |
GHS05, GHS07, GHS08 |
Signal Word | Danger | |
Summary: Butyl isothiocyanate, also known as 1-isothiocyanatobutane, has a molecular formula of C5H9NS and a molecular weight of 115.197. It appears as a colorless to light yellow clear liquid with a boiling point of 168.0±0.0 °C and a density of 0.9±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | butyl isothiocyanate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 168.0±0.0 °C at 760 mmHg |
| Molecular Formula | C5H9NS |
| Molecular Weight | 115.197 |
| Flash Point | 66.1±0.0 °C |
| Exact Mass | 115.045570 |
| PSA | 44.45000 |
| LogP | 2.53 |
| Vapour Pressure | 2.2±0.3 mmHg at 25°C |
| Index of Refraction | 1.484 |
| InChIKey | LIMQQADUEULBSO-UHFFFAOYSA-N |
| SMILES | CCCCN=C=S |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302 + H312 + H332-H314-H317-H334 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C |
| Risk Phrases | 20/21/22-34-42 |
| Safety Phrases | S23-S26-S36/37-S39-S45 |
| RIDADR | UN 1693 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | NX8420500 |
| Packaging Group | III |
| Hazard Class | 8 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 10 | |
CAS#:75-15-0
CAS#:109-73-9
CAS#:2769-64-4
CAS#:400-59-9
CAS#:18879-99-7
CAS#:628-05-7
CAS#:96989-50-3
CAS#:56134-96-4
CAS#:10583-85-4
CAS#:4316-42-1
CAS#:1792-17-2
CAS#:693-64-1
CAS#:108168-84-9
CAS#:108168-85-0
CAS#:132783-18-7
CAS#:134110-61-5
CAS#:4253-22-9
CAS#:21198-52-7This table lists relevant public references with title, journal and publication metadata for this compound.
|
In vitro metabolic conversion of the organic breakdown products of glucosinolate to goitrogenic thiocyanate anion.
J. Sci. Food Agric. 95 , 2244-51, (2015) Glucosinolates are abundant in Brassicaceae vegetables, and they are degraded into various organic breakdown products (BPs) (R-CN, -NCS and -SCN) by myrosinase when plant tissues are damaged. This stu... |
|
|
Nematicidal Activity of the Volatilome of Eruca sativa on Meloidogyne incognita.
J. Agric. Food Chem. 63 , 6120-5, (2015) Research on new pesticides based on plant extracts, aimed at the development of nontoxic formulates, has recently gained increased interest. This study investigated the use of the volatilome of rucola... |
|
|
Enhanced in vitro biological activity of synthetic 2-(2-pyridyl) ethyl isothiocyanate compared to natural 4-(methylsulfinyl) butyl isothiocyanate.
J. Med. Chem. 55(22) , 9682-92, (2012) Dietary isothiocyanates (ITC) derived from cruciferous vegetables have been shown to have numerous biological effects consistent with chemoprotective activity. In this study we synthesized a novel ITC... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00004824 |
| BUTYL ISOTHIOCYANATE |
| 1-Isothiocyanatobutane |
| EINECS 209-770-4 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of butyl isothiocyanate? |
| A: CAS number of butyl isothiocyanate is 592-82-5. |
| Q: What is the SMILES notation of butyl isothiocyanate? |
| A: SMILES notation of butyl isothiocyanate is CCCCN=C=S. |
| Q: What is the English name of butyl isothiocyanate? |
| A: The English name of butyl isothiocyanate is butyl isothiocyanate. |
| Q: What is the LogP of butyl isothiocyanate? |
| A: LogP of butyl isothiocyanate is 2.53. |
| Q: What is the molecular weight of butyl isothiocyanate? |
| A: Molecular weight of butyl isothiocyanate is 115.197. |
| Q: What is the InChIKey of butyl isothiocyanate? |
| A: InChIKey of butyl isothiocyanate is LIMQQADUEULBSO-UHFFFAOYSA-N. |
| Q: What are the downstream products of butyl isothiocyanate? |
| A: Related downstream products(CAS) of butyl isothiocyanate: 10583-85-4;4316-42-1;1792-17-2;693-64-1;108168-84-9;108168-85-0;132783-18-7;134110-61-5;4253-22-9;21198-52-7. |
| Q: What are the upstream materials of butyl isothiocyanate? |
| A: Related upstream materials(CAS) of butyl isothiocyanate: 75-15-0;109-73-9;2769-64-4;400-59-9;18879-99-7;628-05-7;96989-50-3;56134-96-4. |
| Q: What is the boiling point of butyl isothiocyanate? |
| A: Boiling point of butyl isothiocyanate is 168.0±0.0 °C at 760 mmHg. |
| Q: What is the molecular formula of butyl isothiocyanate? |
| A: Molecular formula of butyl isothiocyanate is C5H9NS. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.
- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 1-Isothiocyanatobutane
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
- Email: sales@echemcloud.com
- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: Butane,1-isothiocyanato-
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 1-Isothiocyanatobutane
- Price: ￥Inquiry/25kg
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Wang Jie
- Email: 3096638339@qq.com
Get all suppliers and price by the below link: