3-Chloropropyl-N-benzylmethylamine structure
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Common Name | 3-Chloropropyl-N-benzylmethylamine | ||
|---|---|---|---|---|
| CAS Number | 3161-52-2 | Molecular Weight | 197.70400 | |
| Density | 1.038g/cm3 | Boiling Point | 256.5ºC at 760 mmHg | |
| Molecular Formula | C11H16ClN | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 108.9ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Chloropropyl-N-benzylmethylamine |
|---|---|
| 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 | 1.038g/cm3 |
|---|---|
| Boiling Point | 256.5ºC at 760 mmHg |
| Molecular Formula | C11H16ClN |
| Molecular Weight | 197.70400 |
| Flash Point | 108.9ºC |
| Exact Mass | 197.09700 |
| PSA | 3.24000 |
| LogP | 2.74730 |
| Index of Refraction | 1.524 |
| InChIKey | XOVAMNMHLZQZJL-UHFFFAOYSA-N |
| SMILES | CN(CCCCl)Cc1ccccc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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 foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 3161-52-2: 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: Liquid Color: colorless to pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C11H16ClN Molecular Weight: 197.71 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3161-52-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Chloropropyl-N-benzylmethylamine - 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 Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3265 Packing Group: III IMO Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing Group: III RID/ADR Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 3161-52-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3161-52-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3161-52-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2921499090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-Chloropropyl-... CAS#:3161-52-2 |
| Literature: Kali-Chemie Pharma GmbH Patent: US5547967 A1, 1996 ; |
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| Literature: Bergel et al. Journal of the Chemical Society, 1944 , p. 261,264 Full Text Show Details Hoffmann-La Roche Patent: US2405555 , 1942 ; |
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3-Chloropropyl-... CAS#:3161-52-2 |
| Literature: NATCO PHARMA LIMITED Patent: WO2003/101931 A2, 2003 ; Location in patent: Page 17 ; |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921499090 |
|---|---|
| Summary | 2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| N-benzyl-N-methyl-3-chloropropylamine |
| N-benzyl-3-chloro-N-methylpropylamine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 3-Chloropropyl-N-benzylmethylamine? |
| A: Molecular formula of 3-Chloropropyl-N-benzylmethylamine is C11H16ClN. |
| Q: What is the InChIKey of 3-Chloropropyl-N-benzylmethylamine? |
| A: InChIKey of 3-Chloropropyl-N-benzylmethylamine is XOVAMNMHLZQZJL-UHFFFAOYSA-N. |
| Q: What is the boiling point of 3-Chloropropyl-N-benzylmethylamine? |
| A: Boiling point of 3-Chloropropyl-N-benzylmethylamine is 256.5ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 3-Chloropropyl-N-benzylmethylamine? |
| A: Polar surface area (PSA) of 3-Chloropropyl-N-benzylmethylamine is 3.24000. |
| Q: What English synonyms does 3-Chloropropyl-N-benzylmethylamine have? |
| A: English synonyms of 3-Chloropropyl-N-benzylmethylamine: N-benzyl-N-methyl-3-chloropropylamine, N-benzyl-3-chloro-N-methylpropylamine. |
| Q: What is the English name of 3-Chloropropyl-N-benzylmethylamine? |
| A: The English name of 3-Chloropropyl-N-benzylmethylamine is 3-Chloropropyl-N-benzylmethylamine. |
| Q: What is the SMILES notation of 3-Chloropropyl-N-benzylmethylamine? |
| A: SMILES notation of 3-Chloropropyl-N-benzylmethylamine is CN(CCCCl)Cc1ccccc1. |
| Q: What is the LogP of 3-Chloropropyl-N-benzylmethylamine? |
| A: LogP of 3-Chloropropyl-N-benzylmethylamine is 2.74730. |
| Q: What is the CAS number of 3-Chloropropyl-N-benzylmethylamine? |
| A: CAS number of 3-Chloropropyl-N-benzylmethylamine is 3161-52-2. |
| Q: What is the molecular weight of 3-Chloropropyl-N-benzylmethylamine? |
| A: Molecular weight of 3-Chloropropyl-N-benzylmethylamine is 197.70400. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |