UNII:88I7UKE7IM structure
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Common Name | UNII:88I7UKE7IM | ||
|---|---|---|---|---|
| CAS Number | 616-23-9 | Molecular Weight | 128.985 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 184.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C3H6Cl2O | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 98.5±15.8 °C | |
| Symbol |
GHS05, GHS06 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,3-dichloro-1-propanol |
|---|---|
| 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 | 184.0±0.0 °C at 760 mmHg |
| Molecular Formula | C3H6Cl2O |
| Molecular Weight | 128.985 |
| Flash Point | 98.5±15.8 °C |
| Exact Mass | 127.979568 |
| PSA | 20.23000 |
| LogP | 0.65 |
| Vapour Pressure | 0.2±0.7 mmHg at 25°C |
| Index of Refraction | 1.462 |
| InChIKey | ZXCYIJGIGSDJQQ-UHFFFAOYSA-N |
| SMILES | OCC(Cl)CCl |
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 |
GHS05, GHS06 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H310-H318-H332 |
| Precautionary Statements | P280-P302 + P350-P305 + P351 + P338-P310 |
| 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 | R20;R24/25;R41 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | UN 2810 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | UB1225000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
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 | |
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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The simultaneous separation and determination of chloropropanols in soy sauce and other flavoring with gas chromatography-mass spectrometry in negative chemical and electron impact ionization modes.
Food Addit. Contam. 23(2) , 110-9, (2006) Both gas chromatography-mass spectrometry in electron ionization (GC-MS-EI) and negative chemical ionization (GC-MS-NCI) modes are reported in this paper for the simultaneous determination of 1,3-dich... |
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Directed evolution strategies for enantiocomplementary haloalkane dehalogenases: from chemical waste to enantiopure building blocks.
ChemBioChem. 13(1) , 137-48, (2012) We used directed evolution to obtain enantiocomplementary haloalkane dehalogenase variants that convert the toxic waste compound 1,2,3-trichloropropane (TCP) into highly enantioenriched (R)- or (S)-2,... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
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Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,3-dichloro-1-phenyl-1-propanone |
| EINECS 210-470-0 |
| 2,3-Dichlorpropan-1-ol |
| 2,3-Dichloro-1-propanol |
| 2,3-Dichloropropan-1-ol |
| 2,3-dichloropropane-1-ol |
| 1-PROPANONE,2,3-DICHLORO-1-PHENYL |
| 1,2-dichloro-3-hydroxy propane |
| MFCD00040446 |
| 2,3-dichloropropanol |
| UNII:88I7UKE7IM |
| 2,3-dichloro propan-1-ol |
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 2,3-dichloro-1-propanol? |
| A: CAS number of 2,3-dichloro-1-propanol is 616-23-9. |
| Q: What are the upstream materials of 2,3-dichloro-1-propanol? |
| A: Related upstream materials(CAS) of 2,3-dichloro-1-propanol: 56-81-5;107-18-6;10140-89-3;24910-84-7;96-24-2;64-19-7;115-11-7;106-89-8;96-23-1. |
| Q: What is the LogP of 2,3-dichloro-1-propanol? |
| A: LogP of 2,3-dichloro-1-propanol is 0.65. |
| Q: What is the InChIKey of 2,3-dichloro-1-propanol? |
| A: InChIKey of 2,3-dichloro-1-propanol is ZXCYIJGIGSDJQQ-UHFFFAOYSA-N. |
| Q: What English synonyms does 2,3-dichloro-1-propanol have? |
| A: English synonyms of 2,3-dichloro-1-propanol: 2,3-dichloro-1-phenyl-1-propanone, EINECS 210-470-0, 2,3-Dichlorpropan-1-ol, 2,3-Dichloro-1-propanol, 2,3-Dichloropropan-1-ol, 2,3-dichloropropane-1-ol, 1-PROPANONE,2,3-DICHLORO-1-PHENYL, 1,2-dichloro-3-hydroxy propane, MFCD00040446, 2,3-dichloropropanol, UNII:88I7UKE7IM, 2,3-dichloro propan-1-ol. |
| Q: What is the polar surface area (PSA) of 2,3-dichloro-1-propanol? |
| A: Polar surface area (PSA) of 2,3-dichloro-1-propanol is 20.23000. |
| Q: What is the molecular weight of 2,3-dichloro-1-propanol? |
| A: Molecular weight of 2,3-dichloro-1-propanol is 128.985. |
| Q: What is the English name of 2,3-dichloro-1-propanol? |
| A: The English name of 2,3-dichloro-1-propanol is 2,3-dichloro-1-propanol. |
| Q: What is the boiling point of 2,3-dichloro-1-propanol? |
| A: Boiling point of 2,3-dichloro-1-propanol is 184.0±0.0 °C at 760 mmHg. |
| Q: What are the downstream products of 2,3-dichloro-1-propanol? |
| A: Related downstream products(CAS) of 2,3-dichloro-1-propanol: 565-64-0;51594-55-9;556-52-5;56-81-5;106-89-8;96-24-2;96-23-1;96-18-4;67843-74-7;59-52-9. |
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. |