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페닐아세토나이트릴

페닐아세토나이트릴
페닐아세토나이트릴 구조식 이미지
카스 번호:
140-29-4
한글명:
페닐아세토나이트릴
동의어(한글):
벤젠아세토니트릴;벤질시아나이드;페닐아세토나이트릴(페닐아세토나이트릴);페닐아세토나이트릴
상품명:
Benzeneacetonitrile
동의어(영문):
usafkf-21;USAF KF-21;TOLUNITRILE;benzylkyanid;enzylcyanide;benzylcyanid;benzylnitrile;A-TOLUNITRILE;Benzyl nitrile;BENZYL CYANIDE
CBNumber:
CB6272186
분자식:
C8H7N
포뮬러 무게:
117.15
MOL 파일:
140-29-4.mol

페닐아세토나이트릴 속성

녹는점
−24 °C(lit.)
끓는 점
233-234 °C(lit.)
밀도
1.015 g/mL at 25 °C(lit.)
증기압
0.1 mm Hg ( 20 °C)
굴절률
n20/D 1.524
인화점
215 °F
저장 조건
Store below +30°C.
용해도
0.1g/l
수용성
insoluble. <0.1 g/100 mL at 17 ºC
Merck
14,1131
BRN
385941
안정성
Stable. Incompatible with strong oxidizing agents. May produce hydrogen cyanide in a fire.
CAS 데이터베이스
140-29-4(CAS DataBase Reference)
NIST
Benzeneacetonitrile(140-29-4)
EPA
Benzeneacetonitrile(140-29-4)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 T+,T
위험 카페고리 넘버 22-24-26-23/24/25
안전지침서 28-36/37-45-23
유엔번호(UN No.) UN 2470 6.1/PG 3
WGK 독일 3
RTECS 번호 AM1400000
F 고인화성물질 8-9
자연 발화 온도 590 °C
위험 참고 사항 Very Toxic
TSCA Yes
위험 등급 6.1(b)
포장분류 III
HS 번호 29269090
유해 물질 데이터 140-29-4(Hazardous Substances Data)
독성 LD50 orally in Rabbit: 270 mg/kg LD50 dermal Rabbit 270 mg/kg
그림문자(GHS):
신호 어: Danger
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H301 삼키면 유독함 급성 독성 물질 - 경구 구분 3 위험 P264, P270, P301+P310, P321, P330,P405, P501
H311 피부와 접촉하면 유독함 급성 독성 물질 - 경피 구분 3 위험 P280, P302+P352, P312, P322, P361,P363, P405, P501
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 P264, P280, P305+P351+P338,P337+P313P
H330 흡입하면 치명적임 급성 독성 물질 흡입 구분 1, 2 위험 P260, P271, P284, P304+P340, P310,P320, P403+P233, P405, P501
예방조치문구:
P260 분진·흄·가스·미스트·증기·...·스프레이를 흡입하지 마시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P284 호흡 보호구를 착용하시오.
P310 즉시 의료기관(의사)의 진찰을 받으시오. 삼켰다면 즉시 의료기관(의사)의 도움을 받으시오.
P320 긴급히 (…) 처치를 하시오.
P330 입을 씻어내시오.
P301+P310 삼켰다면 즉시 의료기관(의사)의 진찰을 받으시오.
P304+P340 흡입하면 신선한 공기가 있는 곳으로 옮기고 호흡하기 쉬운 자세로 안정을 취하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
P405 밀봉하여 저장하시오.

페닐아세토나이트릴 C화학적 특성, 용도, 생산

화학적 성질

colourless liquid

화학적 성질

Benzyl cyanide is a colorless, oily liquid with an aromatic odor.

용도

Organic synthesis, especially penicillin precursors.

생산 방법

Benzyl cyanide is synthesized by reaction of benzyl chloride with potassium cyanide or sodium cyanide . The nitrile is a natural constituent of plants and is a constituent of foods, particularly citrus fruits, papaya, cabbage, mushrooms, roasted onions, tomatoes, cocoa, tea, roasted peanuts and cauliflower .The benzyl cyanide, at least in part, is formed by breakdown of benzylglucosinolate in the plant material. Benzyl nitrile also is found in tap water, river water, sewage and in cigarette smoke ).

정의

ChEBI: A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group.

일반 설명

A colorless oily liquid with an aromatic odor. Insoluble in water and slightly denser than water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

공기와 물의 반응

Benzeneacetonitrile is moisture sensitive. Insoluble in water.

반응 프로필

PHENYLACETONITRILE can react with strong acids, strong bases, strong oxidizing agents and strong reducing agents. Benzeneacetonitrile may react vigorously with sodium hypochlorite. .

위험도

Highly toxic, absorbed by skin.

건강위험

Benzyl cyanide is a highly toxic irritant that may be fatal if inhaled, swallowed or absorbed through the skin. The chemical causes eye, mucous membrane and skin irritation. Benzyl cyanide was applied as a 2% concentration in petroleum to the skin of 27 human volunteers and found to be nonsensitizing.

건강위험

Poisonous. May be fatal if inhaled, swallowed, or absorbed through skin. Contact may cause burns to skin and eyes.

화재위험

When heated to decomposition, Benzeneacetonitrile emits very toxic fumes of cyanide and nitrogen oxides. Container may explode in heat of fire. Runoff from fire control water may give off poisonous gases. Avoid sodium hypochlorite.

공업 용도

Benzyl cyanide is employed as a chemical intermediate for the synthesis of amphetamine, phenobarbital and methyl phenidylacetate. It is also used for perfumes and flavors and is, therefore, added to soaps, detergents, creams and lotions.

Safety Profile

Poison by ingestion, inhalation, skin contact, subcutaneous, and intraperitoneal routes. A skin irritant. Explosive reaction with sodium hypochlorite. Used in production of drugs of abuse. When heated to decomposition it emits very toxic fumes of CNand NOx. See also NITRILES

잠재적 노출

(as CN): Benzyl cyanide is used in organic synthesis, especially of penicillin precursors. It is used as a chemical intermediate for amphetamines, phenobarbital; the stimulant, methyl phenidylacetate; esters as perfumes and flavors.

신진 대사

Giacosa isolated phenylaceturic acid from the urine of a dog dosed with benzyl cyanide, while Adeline et al showed that in the dog, benzyl cyanide formed both benzoic acid and a small amount of ethereal sulfate. In rabbits, a large proportion of the cyano group could be accounted for as thiocyanate ion in the urine. There was a sex difference in the conversion with female rabbits excreting 70% of the dose as thiocyanate and males only 50%. However, cyanide was liberated slowly from i.p. or orally administered benzyl cyanide in rats and excreted in the urine as cyanide and thiocyanate, the proportion of the former increasing with the dose . Benzyl cyanide is oxidized by mouse liver microsomes to benzaldehyde and cyanide ion presumably via the intermediate mandelonitrile. The microsomal metabolism of benzyl cyanide and other nitriles was significantly increased when mice were pre treated with ethanol , suggesting that the ethanol-inducible cytochrome P-450 may play an important role in the metabolism of such compounds.

운송 방법

UN2470 Phenylacetonitrile, Hazard Class: 6.1; Labels: 6.1—Poisonous materials.

Purification Methods

Any benzyl isocyanide impurity can be removed by shaking vigorously with an equal volume of 50% H2SO4 at 60o, washing with saturated aqueous NaHCO3, then half-saturated NaCl solution, drying and fractionally distilling under reduced pressure. Distillation from CaH2 causes some decomposition of this compound: it is better to use P2O5. Other purification procedures include passage through a column of highly activated alumina, and distillation from Raney nickel. Precautions should be taken because of possible formation of free TOXIC cyanide, use an efficient fume cupboard.[Beilstein 9 IV 1663.]

비 호환성

Violent reaction with strong oxidizers; sodium hypochlorite, lithium aluminum hydride. Nitriles may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.

페닐아세토나이트릴 준비 용품 및 원자재

원자재

준비 용품


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