1,3-Dichloro-2-propanol structure
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Common Name | 1,3-Dichloro-2-propanol | ||
|---|---|---|---|---|
| CAS Number | 96-23-1 | Molecular Weight | 128.985 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 174.3±0.0 °C at 760 mmHg | |
| Molecular Formula | C3H6Cl2O | Melting Point | -4 °C | |
| MSDS | Chinese USA | Flash Point | 85.6±0.0 °C | |
| Symbol |
GHS06, GHS08 |
Signal Word | Danger | |
Summary: 1,3-Dichloropropan-2-ol, also known as 1,3-Dichloro-2-propanol, CAS 96-23-1, with molecular formula C3H6Cl2O and molecular weight 128.985, is a colorless to pale yellow liquid. Melting point is -4°C, boiling point 174.3±0.0°C, density 1.3±0.1g/cm3. Used in the synthesis of ganciclovir, solvent for acetic fiber and ethyl fiber, and in the manufacture of epoxy resins, ion exchange resins, etc. 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 | 1,3-dichloropropan-2-ol |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 174.3±0.0 °C at 760 mmHg |
| Melting Point | -4 °C |
| Molecular Formula | C3H6Cl2O |
| Molecular Weight | 128.985 |
| Flash Point | 85.6±0.0 °C |
| Exact Mass | 127.979568 |
| PSA | 20.23000 |
| LogP | 0.66 |
| Vapour Pressure | 0.4±0.7 mmHg at 25°C |
| Index of Refraction | 1.462 |
| InChIKey | DEWLEGDTCGBNGU-UHFFFAOYSA-N |
| SMILES | OC(CCl)CCl |
| Water Solubility | soluble. >=10 g/100 mL at 23 ºC |
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
MUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H312-H350 |
| Precautionary Statements | P201-P280-P301 + P310-P308 + P313 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | T:Toxic; |
| Risk Phrases | R21;R25;R45 |
| Safety Phrases | S53-S45-S36/37-S16 |
| RIDADR | UN 2750 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | UB1400000 |
| Packaging Group | II |
| Hazard Class | 6.1 |
| HS Code | 29055910 |
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 10 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2905590090 |
|---|---|
| Summary | 2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Mechanism of chemical activation of sodium chloride in the presence of amino acids.
Food Chem. 166 , 301-8, (2014) Sodium chloride has been shown to promote chlorination of glycerol during thermal processing. However, the detailed mechanism of this reaction is not well understood. Preliminary experiments have indi... |
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Exploring the enantioselective mechanism of halohydrin dehalogenase from Agrobacterium radiobacter AD1 by iterative saturation mutagenesis.
Appl. Environ. Microbiol. 81(8) , 2919-26, (2015) Halohydrin dehalogenase from Agrobacterium radiobacter AD1 (HheC) shows great potential in producing valuable chiral epoxides and β-substituted alcohols. The wild-type (WT) enzyme displays a high R-en... |
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Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity.
Bioorg. Med. Chem. 16 , 5720-32, (2008) The risk of the presence of haloacetic acids in drinking water as chlorination by-products and the shortage of experimental mutagenicity data for most of them requires a research work. This paper desc... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,3-dichloro-1,3-dideoxyglycerol |
| glycerol 1,3-dichlorohydrin |
| U 25,354 |
| 1,3-dichloro-2-hydroxypropane |
| EINECS 202-491-9 |
| 1,3-dichlorohydrin |
| DCP |
| gdch |
| 1,3-DCP |
| Enodrin |
| 1,3-di-chloro-2-propanol |
| 1,3-dichloro-2-propyl alcohol |
| Dichlorohydrin |
| 1,3-dichloropropan-2-ol |
| MFCD00000951 |
| 1,3-Dichloro-2-propanol |
| Glycerol-α,γ-dichlorohydrin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 1,3-dichloropropan-2-ol? |
| A: Polar surface area (PSA) of 1,3-dichloropropan-2-ol is 20.23000. |
| Q: What is the melting point of 1,3-dichloropropan-2-ol? |
| A: Melting point of 1,3-dichloropropan-2-ol is -4 °C. |
| Q: What is the LogP of 1,3-dichloropropan-2-ol? |
| A: LogP of 1,3-dichloropropan-2-ol is 0.66. |
| Q: What is the SMILES notation of 1,3-dichloropropan-2-ol? |
| A: SMILES notation of 1,3-dichloropropan-2-ol is OC(CCl)CCl. |
| Q: What is the safety information for 1,3-dichloropropan-2-ol? |
| A: Safety information for 1,3-dichloropropan-2-ol: S53-S45-S36/37-S16. |
| Q: What is the molecular weight of 1,3-dichloropropan-2-ol? |
| A: Molecular weight of 1,3-dichloropropan-2-ol is 128.985. |
| Q: What are the upstream materials of 1,3-dichloropropan-2-ol? |
| A: Related upstream materials(CAS) of 1,3-dichloropropan-2-ol: 56-81-5;106-89-8;107-05-1;96-24-2;64-19-7;115-11-7;534-07-6;7453-13-6;102-76-1;693-03-8. |
| Q: What is the English name of 1,3-dichloropropan-2-ol? |
| A: The English name of 1,3-dichloropropan-2-ol is 1,3-dichloropropan-2-ol. |
| Q: How is the water solubility of 1,3-dichloropropan-2-ol? |
| A: Water solubility of 1,3-dichloropropan-2-ol: soluble. >=10 g/100 mL at 23 ºC. |
| Q: What is the InChIKey of 1,3-dichloropropan-2-ol? |
| A: InChIKey of 1,3-dichloropropan-2-ol is DEWLEGDTCGBNGU-UHFFFAOYSA-N. |
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. |