2-Chloro-3-chloromethylquinoline
2-Chloro-3-chloromethylquinoline structure
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Common Name | 2-Chloro-3-chloromethylquinoline | ||
|---|---|---|---|---|
| CAS Number | 90097-52-2 | Molecular Weight | 212.075 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 332.2±27.0 °C at 760 mmHg | |
| Molecular Formula | C10H7Cl2N | Melting Point | 117 °C | |
| MSDS | Chinese USA | Flash Point | 184.9±9.3 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
Summary: 2-Chloro-3-(chloromethyl)quinoline (CAS number: 90097-52-2), with molecular formula C10H7Cl2N and molecular weight 212.075, is a solid to light orange to yellow to green powder to crystal, with a melting point of 117 °C and a boiling point of 332.2±27.0 °C, and a density of 1.4±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 | 2-Chloro-3-(chloromethyl)quinoline |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 332.2±27.0 °C at 760 mmHg |
| Melting Point | 117 °C |
| Molecular Formula | C10H7Cl2N |
| Molecular Weight | 212.075 |
| Flash Point | 184.9±9.3 °C |
| Exact Mass | 210.995560 |
| PSA | 12.89000 |
| LogP | 2.98 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.647 |
| InChIKey | UOIJHUIOTFDGNA-UHFFFAOYSA-N |
| SMILES | ClCc1cc2ccccc2nc1Cl |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H315-H318-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Hazard Codes | Xi |
| RIDADR | NONH for all modes of transport |
| HS Code | 2933499090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~82%
2-Chloro-3-chlo... CAS#:90097-52-2 |
| Literature: Barl, Nadja M.; Sansiaume-Dagousset, Elodie; Monzon, Gabriel; Wagner, Andreas J.; Knochel, Paul Organic Letters, 2014 , vol. 16, # 9 p. 2422 - 2425 |
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2-Chloro-3-chlo... CAS#:90097-52-2 |
| Literature: WO2008/82484 A1, ; Page/Page column 198 ; |
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2-Chloro-3-chlo... CAS#:90097-52-2 |
| Literature: Chemical Papers, , vol. 64, # 5 p. 678 - 682 |
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2-Chloro-3-chlo... CAS#:90097-52-2 |
| Literature: Organic Letters, , vol. 5, # 18 p. 3277 - 3280 |
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2-Chloro-3-chlo... CAS#:90097-52-2 |
| Literature: Organic Letters, , vol. 5, # 18 p. 3277 - 3280 |
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2-Chloro-3-chlo... CAS#:90097-52-2 |
| Literature: US2010/322901 A1, ; Page/Page column 66 ; |
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2-Chloro-3-chlo... CAS#:90097-52-2 |
| Literature: Organic Letters, , vol. 5, # 18 p. 3277 - 3280 |
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~60%
2-Chloro-3-chlo... CAS#:90097-52-2 |
| Literature: Korodi, Ference Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 6 p. 1549 - 1552 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933499090 |
|---|---|
| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Late stage assay provider results from the probe development effort to identify inhib...
Source: The Scripps Research Institute Molecular Screening Center
Target: glutathione S-transferase omega-1 isoform 1 [Homo sapiens]
External Id: GSTO1_INH_FLUO_ABPP_1XINH_RECOMB
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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: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH 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: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Chloro-3-chloromethylquinoline |
| 2-Chloro-3-(chloromethyl)quinoline |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-Chloro-3-(chloromethyl)quinoline? |
| A: The English name of 2-Chloro-3-(chloromethyl)quinoline is 2-Chloro-3-(chloromethyl)quinoline. |
| Q: What is the SMILES notation of 2-Chloro-3-(chloromethyl)quinoline? |
| A: SMILES notation of 2-Chloro-3-(chloromethyl)quinoline is ClCc1cc2ccccc2nc1Cl. |
| Q: What is the molecular weight of 2-Chloro-3-(chloromethyl)quinoline? |
| A: Molecular weight of 2-Chloro-3-(chloromethyl)quinoline is 212.075. |
| Q: What is the CAS number of 2-Chloro-3-(chloromethyl)quinoline? |
| A: CAS number of 2-Chloro-3-(chloromethyl)quinoline is 90097-52-2. |
| Q: What English synonyms does 2-Chloro-3-(chloromethyl)quinoline have? |
| A: English synonyms of 2-Chloro-3-(chloromethyl)quinoline: 2-Chloro-3-chloromethylquinoline, 2-Chloro-3-(chloromethyl)quinoline. |
| Q: What is the LogP of 2-Chloro-3-(chloromethyl)quinoline? |
| A: LogP of 2-Chloro-3-(chloromethyl)quinoline is 2.98. |
| Q: What is the melting point of 2-Chloro-3-(chloromethyl)quinoline? |
| A: Melting point of 2-Chloro-3-(chloromethyl)quinoline is 117 °C. |
| Q: What is the InChIKey of 2-Chloro-3-(chloromethyl)quinoline? |
| A: InChIKey of 2-Chloro-3-(chloromethyl)quinoline is UOIJHUIOTFDGNA-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 2-Chloro-3-(chloromethyl)quinoline? |
| A: Polar surface area (PSA) of 2-Chloro-3-(chloromethyl)quinoline is 12.89000. |
| Q: What is the boiling point of 2-Chloro-3-(chloromethyl)quinoline? |
| A: Boiling point of 2-Chloro-3-(chloromethyl)quinoline is 332.2±27.0 °C at 760 mmHg. |
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. |