4-(4-chlorophenyl)pyrimidine-2-thiol structure
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Common Name | 4-(4-chlorophenyl)pyrimidine-2-thiol | ||
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| CAS Number | 175203-08-4 | Molecular Weight | 222.694 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 403.4±37.0 °C at 760 mmHg | |
| Molecular Formula | C10H7ClN2S | Melting Point | 210ºC | |
| MSDS | N/A | Flash Point | 197.8±26.5 °C | |
| Name | 6-(4-chlorophenyl)-1H-pyrimidine-2-thione |
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| Synonym | More Synonyms |
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 403.4±37.0 °C at 760 mmHg |
| Melting Point | 210ºC |
| Molecular Formula | C10H7ClN2S |
| Molecular Weight | 222.694 |
| Flash Point | 197.8±26.5 °C |
| Exact Mass | 222.001846 |
| PSA | 64.58000 |
| LogP | 1.22 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.645 |
| InChIKey | TWKIWOOKHPWUIM-UHFFFAOYSA-N |
| SMILES | S=c1nccc(-c2ccc(Cl)cc2)[nH]1 |
Synonym: SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin:
May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. SECTION 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. SECTION 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. SECTION 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. SECTION 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 175203-08-4: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: orange - yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 220 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C10H7ClN2S Molecular Weight: 223 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, acid chlorides, reducing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 175203-08-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(4-Chlorophenyl)pyrimidine-2-thiol - Not listed by ACGIH, IARC, or NTP. SECTION 12 - ECOLOGICAL INFORMATION SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. SECTION 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 175203-08-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 175203-08-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 175203-08-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 4/04/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. SECTION 16 - ADDITIONAL INFORMATION N/A |
| Precursor 0 | |
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| DownStream 1 | |
| HS Code | 2933599090 |
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| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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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: 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: 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: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
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| 4-(4-chlorophenyl)pyrimidine-2-thiol |
| MFCD00174262 |
| 4-(4-Chlorophenyl)-2(1H)-pyrimidinethione |