4-Cyano-1-butyne structure
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Common Name | 4-Cyano-1-butyne | ||
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CAS Number | 19596-07-7 | Molecular Weight | 79.09990 | |
Density | 0.896g/cm3 | Boiling Point | 169ºC at 760mmHg | |
Molecular Formula | C5H5N | Melting Point | N/A | |
MSDS | Chinese USA | Flash Point | 55.4ºC | |
Symbol |
GHS06 |
Signal Word | Danger |
Name | pent-4-ynenitrile |
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Synonym | More Synonyms |
Density | 0.896g/cm3 |
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Boiling Point | 169ºC at 760mmHg |
Molecular Formula | C5H5N |
Molecular Weight | 79.09990 |
Flash Point | 55.4ºC |
Exact Mass | 79.04220 |
PSA | 23.79000 |
LogP | 0.92338 |
Vapour Pressure | 1.58mmHg at 25°C |
Index of Refraction | 1.433 |
SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: 4-Pentynenitrile REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline.
CAS-No.: 19596-07-7 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 Acute toxicity, Oral (Category 3), H301 For the full text of the H-Statements mentioned in this Section, see Section 16. Classification according to EU Directives 67/548/EEC or 1999/45/EC T ToxicR25 For the full text of the R-phrases mentioned in this Section, see Section 16. Label elements Labelling according Regulation (EC) No 1272/2008 Pictogram Signal wordDanger Hazard statement(s) H301Toxic if swallowed. Precautionary statement(s) P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/ physician. Supplemental Hazardnone Statements Other hazards Possible sensitizer., Stench. SECTION 3: Composition/information on ingredients Substances Synonyms: 1-Cyano-3-butyne 4-Cyano-1-butyne Formula: C5H5N Molecular Weight: 79,10 g/mol CAS-No.: 19596-07-7 Hazardous ingredients according to Regulation (EC) No 1272/2008 ComponentClassificationConcentration 4-Pentynenitrile CAS-No.19596-07-7Acute Tox. 3; H301<= 100 % For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16 SECTION 4: First aid measures Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician. In case of eye contact Flush eyes with water as a precaution. If swallowed Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx) Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information Use water spray to cool unopened containers. SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Wear respiratory protection. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas. For personal protection see section 8. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations (see section 13). Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Avoid contact with skin and eyes. Avoid inhalation of vapour or mist. Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic charge. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Recommended storage temperature: 2 - 8 °C Moisture sensitive. Keep in a dry place. Light sensitive. Stench. Specific end use(s) Apart from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the product. Personal protective equipment Eye/face protection Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Prevent further leakage or spillage if safe to do so. Do not let product enter drains. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: liquid b) OdourStench. c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and 79 °C at 52 hPa boiling range g) Flash point65,5 °C h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density0,9063 g/cm3 n) Water solubilityno data available o) Partition coefficient: n- log Pow: 0,237 octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid Heat, flames and sparks. Incompatible materials Strong oxidizing agents, Strong acids, Bases Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. SECTION 12: Ecological information Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects no data available SECTION 13: Disposal considerations Waste treatment methods Product Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: 3276IMDG: 3276IATA: 3276 UN proper shipping name ADR/RID: NITRILES, TOXIC, LIQUID, N.O.S. (4-Pentynenitrile) IMDG: NITRILES, TOXIC, LIQUID, N.O.S. (4-Pentynenitrile) IATA:Nitriles, liquid, toxic, n.o.s. (4-Pentynenitrile) Transport hazard class(es) ADR/RID: 6.1IMDG: 6.1IATA: 6.1 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A |
Symbol |
GHS06 |
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Signal Word | Danger |
Hazard Statements | H301 |
Precautionary Statements | P301 + P310 |
Risk Phrases | 10-20/21/22-36/37/38 |
Safety Phrases | S16 |
RIDADR | UN 3275 |
HS Code | 2926909090 |
~% 4-Cyano-1-butyne CAS#:19596-07-7 |
Literature: WO2013/78123 A1, ; Page/Page column 81; 82 ; WO 2013/078123 A1 |
~89% 4-Cyano-1-butyne CAS#:19596-07-7 |
Literature: Messer Jr., William S.; Abuh, Yahaya F.; Liu, Yang; Periyasamy, Sumudra; Ngur, Dan O.; Edgar, Michael A. N.; El-Assadi, Afif A.; Sbeih, Sbeih; Dunbar, Philip G.; Roknich, Scott; Rho, Taikyun; Fang, Zheng; Ojo, Babatunde; Zhang, Hao; Huzl III, James J.; Nagy, Peter I. Journal of Medicinal Chemistry, 1997 , vol. 40, # 8 p. 1230 - 1246 |
~62% 4-Cyano-1-butyne CAS#:19596-07-7 |
Literature: Mukherjee, Anupam; Liu, Rai-Shung Organic Letters, 2011 , vol. 13, # 4 p. 660 - 663 |
~68% 4-Cyano-1-butyne CAS#:19596-07-7 |
Literature: Guzman-Duran, Antonio; Guzman, Esther; Pannell, Keith H.; Lloyd, Winston D. Synthetic Communications, 2003 , vol. 33, # 19 p. 3271 - 3283 |
~% 4-Cyano-1-butyne CAS#:19596-07-7 |
Literature: Journal of the Chemical Society, , p. 3217,3220 |
Precursor 7 | |
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DownStream 3 | |
HS Code | 2926909090 |
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Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
1-Cyano-3-butyne |
Pent-4-innitril |
4-Cyano-1-butyne |
4-pentynenitrile |
4-Pentynenitrile |