Propionitrile

Organic compound
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Propionitrile is a kind of Organic compound , chemical formula is C three H five N, Colorless transparent liquid, It is highly toxic [2] , soluble in water ethanol Ether Dimethylformamide Etc.
Chinese name
Propionitrile
Foreign name
propionitrile
Alias
Ethyl cyanogen
chemical formula
C three H five N
molecular weight
fifty-five point zero seven eight
CAS login number
107-12-0
EINECS login number
203-464-4
Melting point
-92 ℃
Boiling point
97.2 ℃
Water solubility
soluble
Density
0.772 g/cm³
Appearance
Colorless Transparent Liquid
Flash point
2 ℃ (CC)
Security description
S9;S16;S28;S36/37/39;S45
Hazard symbol
F;T+
Hazard description
R11;R20;R23/24/25;R27;R36
MDL No
MFCD00001948
RTECS No
UF9625000
BRN No
seven hundred and seventy-three thousand six hundred and eighty

Physical and chemical properties

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Melting point: - 92 ℃
Boiling point: 97.2 ℃
Density: 0.772g/cm three
Flash point: 2 ℃ (CC)
Critical temperature: 291.2 ℃
Critical pressure: 4.18MPa
Ignition temperature: 512 ℃
Saturated vapor pressure: 5.2kPa (20 ℃)
Upper explosive limit( V / V ):14%
Lower explosive limit( V / V ):3.1%
Appearance: colorless transparent liquid with ether like odor
Solubility: soluble in water, ethanol, ether, dimethyl formamide, etc

Molecular structure data

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Molar refractive index: 15.86
Molar volume (cm three /mol):71.4
Isotonic specific volume (90.2K): 159.8
Surface tension (dyne/cm): 25.0
Polarization (10 -24 cm three ):6.28 [1]

Calculate chemical data

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Reference value for drainage parameter calculation (XlogP): None
Number of hydrogen bond donors: 0
Number of hydrogen bond receptors: 1
Number of rotatable chemical bonds: 0
Number of tautomers: none
Topological molecular polar surface area: 23.8
Number of heavy atoms: 4
Surface charge: 0
Complexity: 38.5
Number of isotope atoms: 0
Determine the number of atomic structure centers: 0
Number of uncertain atomic structure centers: 0
Determine the number of chemical bond structure centers: 0
Number of uncertain chemical bond structure centers: 0
Number of covalent bond units: 1 [1]

toxicology data

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LD fifty : 39mg/kg (rat by mouth); 36mg/kg (mouse by mouth); 210mg/kg (rabbit percutaneous)
LC fifty : 500ppm (inhalation in rats, 4h); 367mg/m three (Inhaled by mice, 1h)
2、 thrill
Rabbit percutaneous: 500mg (24h), mild irritation.
Rabbit eye: 100mg (24h), moderate irritation.
Sex chromosome deletion and non separation: Drosophila melanogaster inhales 51ppm.
Inhalation of the lowest toxic dose (TCLo) of 100ppm (6h) from 6 to 20 days after pregnancy in rats caused malformation of the urogenital system. The central nervous system and musculoskeletal system of hamsters were deformed by 238 mg/kg intraperitoneal administration 8 days after pregnancy.
5. Others
The lowest oral toxic dose (TCLo) of rats: 1120 mg/kg (6-15 days of pregnancy), which affects the number of fetuses per litter and causes embryotoxicity. [1]

Ecological data

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LC fifty :1450~1580mg/L(96h)( Pimephales promelas
2. Non biodegradable
In air, when Hydroxyl radical The concentration is 5.00 × 10 five Pcs/cm three The half-life of degradation is 83 d (theoretical). [1]

purpose

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Used as a selective solvent for separating hydrocarbons and refining petroleum fractions; It is used as organic synthesis raw material, solvent and resin additive. A small amount is used as medical raw material, mainly to synthesize the antispasmodic drug 2,4,6-trihydroxyphenylacetone Sulfamethoxazole And other drugs. Also used as chromatographic analysis Reference materials; Also used as pesticide herbicide Intermediate of.

matters needing attention

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Hazard Overview

Health hazard: the product releases cyanide ion in the body, which inhibits Respiratory enzyme , causing hypoxia.
Acute poisoning: mild symptoms include headache, dizziness, fatigue, chest tightness, dyspnea, palpitations, nausea, vomiting, etc. Severe poisoning: prodromal stage: upper respiratory tract irritation, rapid breathing, headache, dizziness, chest tightness; Dyspnea: rising blood pressure, pulse rate, palpitations, bright red skin, chest compression, dyspnea, cyanosis, coma, etc; Paralysis period: continuous coma, muscle relaxation, respiratory and cardiac arrest and death. Eye and skin contact may cause burns, and absorption may cause poisoning.
Flammability and explosion hazard: the product is flammable, highly toxic and irritant. [1]

First aid measures

Skin contact: Take off contaminated clothes immediately, wash thoroughly with flowing clean water or 5% sodium thiosulfate solution for at least 20 minutes, and seek medical advice.
Eye contact: immediately lift the eyelids, thoroughly flush with a large amount of flowing water or physiological saline for at least 15 minutes, and then seek medical advice.
Inhalation: quickly leave the site to a place with fresh air to keep the respiratory tract unobstructed. If breathing is difficult, give oxygen. When breathing and heartbeat stop, perform artificial respiration (not mouth to mouth) and external chest compression immediately, inhale isoamyl nitrite, and seek medical advice.
Ingestion: drink enough warm water to induce vomiting. Use 1:5000 potassium permanganate or 5% sodium thiosulfate solution for gastric lavage and seek medical advice. [1]

Fire fighting measures

Hazardous combustion products: carbon monoxide, carbon dioxide, nitrogen oxide.
Fire extinguishing method: spray water to cool the container, and move the container from the fire site to an open place if possible.
Extinguishing agent: insoluble foam, dry powder, carbon dioxide, sand. Fire extinguishing with water is invalid. [1]

Leakage emergency treatment

Emergency treatment: quickly evacuate the personnel in the leakage pollution area to the safety area, isolate them, and strictly restrict access. Cut off the ignition source. It is recommended that emergency personnel wear self-contained positive pressure respirators and anti poison clothing. Do not touch the leakage directly. Cut off the leakage source as much as possible. Prevent from flowing into restricted spaces such as sewers and flood discharge ditches.
Small amount of leakage: absorb or absorb with sand or other incombustible materials. A large amount of water can also be used for flushing, and the diluted washing water will be discharged into the waste water system.
Large amount of leakage: build a dike or dig a pit to receive. Cover with foam to reduce steam disaster. Use explosion-proof pump to transfer to tank car or special collector for recycling or transport to waste disposal site. [1]

Handling and storage

Precautions for operation: it shall be strictly sealed, and sufficient local exhaust and general ventilation shall be provided. The operation shall be mechanized and automated as far as possible. Operators must be specially trained and strictly abide by the operating procedures. It is recommended that operators wear self-priming filter type gas mask (full mask), one-piece adhesive tape gas suit and rubber oil resistant gloves. Keep away from kindling and heat sources, and smoking is strictly prohibited in the workplace. Use explosion-proof ventilation systems and equipment. Prevent vapor leakage into the air of the workplace. Avoid contact with oxidants, reducing agents, acids and alkalis. Load and unload gently during transportation to prevent damage to packaging and containers. Fire fighting equipment and leakage emergency treatment equipment of corresponding types and quantities shall be provided. Empty containers may leave harmful substances.
Precautions for storage: store in a cool and ventilated warehouse. Keep away from kindling and heat sources. The warehouse temperature should not exceed 30 ℃. Keep container sealed. It shall be stored separately from oxidants, reducing agents, acids, alkalis and edible chemicals, and shall not be mixed. Explosion proof lighting and ventilation facilities shall be adopted. It is prohibited to use mechanical equipment and tools that are easy to generate sparks. The storage area shall be equipped with leakage emergency treatment equipment and appropriate materials. The "five pairs" management system for extremely toxic substances shall be strictly implemented. [1]