4-Chlorobutyryl chloride
4-Chlorobutyryl chloride structure
|
Common Name | 4-Chlorobutyryl chloride | ||
|---|---|---|---|---|
| CAS Number | 4635-59-0 | Molecular Weight | 140.996 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 174.3±13.0 °C at 760 mmHg | |
| Molecular Formula | C4H6Cl2O | Melting Point | -47 °C | |
| MSDS | Chinese USA | Flash Point | 70.2±20.2 °C | |
| Symbol |
GHS05, GHS06 |
Signal Word | Danger | |
Summary: 4-Chlorobutyryl chloride (Chinese name: 4-氯丁酰氯, CAS number: 4635-59-0) is a transparent liquid with molecular formula C4H6Cl2O and molecular weight 140.996. It is used as an intermediate in the synthesis of pharmaceuticals such as fluoroprazosinol and triclopridinobenzoate. Additionally, it is also an intermediate in the synthesis of growth regulators and pharmaceuticals. 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 | 4-Chlorobutyryl chloride |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 174.3±13.0 °C at 760 mmHg |
| Melting Point | -47 °C |
| Molecular Formula | C4H6Cl2O |
| Molecular Weight | 140.996 |
| Flash Point | 70.2±20.2 °C |
| Exact Mass | 139.979568 |
| PSA | 17.07000 |
| LogP | 1.44 |
| Vapour Pressure | 1.2±0.3 mmHg at 25°C |
| Index of Refraction | 1.442 |
| InChIKey | CDIIZULDSLKBKV-UHFFFAOYSA-N |
| SMILES | O=C(Cl)CCCCl |
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 DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H314-H330 |
| Precautionary Statements | P260-P280-P284-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:Corrosive |
| Risk Phrases | R22;R23;R35 |
| Safety Phrases | S26-S28-S36/37/39-S45-S28A |
| RIDADR | UN 3390 6.1/PG 1 |
| WGK Germany | 1 |
| RTECS | EM1406000 |
| Packaging Group | II |
| Hazard Class | 6.1 |
| HS Code | 29159080 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:96-48-0
CAS#:627-00-9
CAS#:141-75-3
CAS#:201230-82-2
CAS#:75-19-4
CAS#:71-43-2
CAS#:107-92-6
CAS#:75-44-5
CAS#:98-07-7
CAS#:109480-78-6
CAS#:102767-31-7
CAS#:40877-19-8
CAS#:43076-61-5
CAS#:3153-36-4
CAS#:3153-37-5
CAS#:3874-54-2
CAS#:6072-57-7
CAS#:36151-44-7
CAS#:43076-59-1This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915900090 |
|---|---|
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
N-Chloroacyl-6-O-triphenylmethylchitosans: useful intermediates for synthetic modifications of chitosan.
Biomacromolecules 6(2) , 858-63, (2005) An efficient synthetic route was developed for the mild chloroacylation of chitosan with different chloroacyl chlorides. Full N-chloroacylation was obtained with this procedure without any O-acylation... |
|
|
Radiosynthesis of (11)C-Levetiracetam: A Potential Marker for PET Imaging of SV2A Expression.
ACS Med. Chem. Lett. 5(10) , 1152-5, (2014) The multistep preparation of (11)C-levetiracetam ((11)C-LEV) was carried out by a one-pot radiosynthesis with 8.3 ± 1.6% (n = 8) radiochemical yield in 50 ± 5.0 min. Briefly, the propionaldehyde was c... |
|
|
Multikilogram-scale synthesis of a biphenyl carboxylic acid derivative using a Pd/C-mediated suzuki coupling approach. Ennis DS, et al.
Org. Process Res. Dev. 3(4) , 248-52, (1999)
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Chlorobutanoyl chloride |
| γ-Chlorobutyryl chloride |
| MFCD00000754 |
| 4-Chlorobutyryl chloride |
| 4-Chlorobutyrylchloride |
| EINECS 225-059-1 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 4-Chlorobutyryl chloride? |
| A: Related downstream products(CAS) of 4-Chlorobutyryl chloride: 109480-78-6;102767-31-7;40877-19-8;43076-61-5;3153-36-4;3153-37-5;3874-54-2;6072-57-7;36151-44-7;43076-59-1. |
| Q: What is the polar surface area (PSA) of 4-Chlorobutyryl chloride? |
| A: Polar surface area (PSA) of 4-Chlorobutyryl chloride is 17.07000. |
| Q: What is the CAS number of 4-Chlorobutyryl chloride? |
| A: CAS number of 4-Chlorobutyryl chloride is 4635-59-0. |
| Q: What English synonyms does 4-Chlorobutyryl chloride have? |
| A: English synonyms of 4-Chlorobutyryl chloride: 4-Chlorobutanoyl chloride, γ-Chlorobutyryl chloride, MFCD00000754, 4-Chlorobutyryl chloride, 4-Chlorobutyrylchloride, EINECS 225-059-1. |
| Q: What is the molecular weight of 4-Chlorobutyryl chloride? |
| A: Molecular weight of 4-Chlorobutyryl chloride is 140.996. |
| Q: What is the SMILES notation of 4-Chlorobutyryl chloride? |
| A: SMILES notation of 4-Chlorobutyryl chloride is O=C(Cl)CCCCl. |
| Q: What is the safety information for 4-Chlorobutyryl chloride? |
| A: Safety information for 4-Chlorobutyryl chloride: S26-S28-S36/37/39-S45-S28A. |
| Q: What is the melting point of 4-Chlorobutyryl chloride? |
| A: Melting point of 4-Chlorobutyryl chloride is -47 °C. |
| Q: What is the English name of 4-Chlorobutyryl chloride? |
| A: The English name of 4-Chlorobutyryl chloride is 4-Chlorobutyryl chloride. |
| Q: What is the molecular formula of 4-Chlorobutyryl chloride? |
| A: Molecular formula of 4-Chlorobutyryl chloride is C4H6Cl2O. |
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. |
| Henan Tianfu Chemical Co., Ltd. |