디페닐아세토니트릴

디페닐아세토니트릴
디페닐아세토니트릴 구조식 이미지
카스 번호:
86-29-3
한글명:
디페닐아세토니트릴
동의어(한글):
디페닐아세토니트릴;다이페닐아세토나이트릴
상품명:
Diphenylacetonitrile
동의어(영문):
DIPAN;DPAN;dibenzylcyanide;-Cyanodiphenylmethane;Acetonitrile, diphenyl-;alpha-Cyanodiphenylmethane;Benzeneacetonitrile, α-phenyl-;alpha-phenylbenzeneacetonitrile;usafkf-13;USAF kf-13
CBNumber:
CB2782757
분자식:
C14H11N
포뮬러 무게:
193.25
MOL 파일:
86-29-3.mol
MSDS 파일:
SDS

디페닐아세토니트릴 속성

녹는점
71-73 °C (lit.)
끓는 점
181 °C/12 mmHg (lit.)
밀도
1.1061 (rough estimate)
증기압
21.3 hPa (190 °C)
굴절률
1.5850 (estimate)
인화점
120 °C
저장 조건
Store below +30°C.
용해도
불용성
물리적 상태
결정성 분말
색상
흰색에서 크림색 또는 희미한 노란색
수용성
불용성
Merck
14,3316
BRN
1911160
노출 한도
NIOSH: IDLH 25 mg/m3
InChIKey
NEBPTMCRLHKPOB-UHFFFAOYSA-N
LogP
2.795-3.197 at 25℃
CAS 데이터베이스
86-29-3(CAS DataBase Reference)
NIST
Benzeneacetonitrile, «alpha»-phenyl-(86-29-3)
EPA
Diphenylacetonitrile (86-29-3)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi
위험 카페고리 넘버 36/37/38
안전지침서 26-36-37/39
WGK 독일 2
RTECS 번호 AL9800000
TSCA Yes
HS 번호 29269095
독성 LD50 orally in Rabbit: 3500 mg/kg
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H303 삼키면 유해할 수 있음 급성 독성 물질 - 경구 구분 5 P312
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
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.
NFPA 704
0
1 0

디페닐아세토니트릴 MSDS


Diphenylacetonitrile

디페닐아세토니트릴 C화학적 특성, 용도, 생산

화학적 성질

Diphenylacetonitrile is a white to creamy or faint yellow crystalline powder, Soluble in ethanol, ether. It is obtained by bromination and condensation of phenylacetonitrile. Diphenylacetonitrile is mainly used as an intermediate to manufacture API which deals in treatment of respiratory stimulant. It is used to manufacture APIs like stomach amine, Aminepentamide Sulphate, Diphenoxylate, Diphenylacetaldehyde, Doxapram, Loperamide, Methadone.

용도

Mathadone (M225865) impurity. Used in synthesis of methadone, antispasmodics and other pharmaceuticals.
Diphenylacetonitrile is used to synthesize isocyanate, which is further prepared into UV paint, PU paint, transparent elastomer and adhesive, etc. In addition, it is also used in polyamide and epoxy resin industries.

제조 방법

Diphenylacetonitrile can be prepared in good yield by the dehydration of the amide of diphenyl acetic acid with phosphorous oxychloride. Diphenylacetonitrile undergoes anhydrous condensation with ethyl-4-bromo-butyrate. This is followed by its hydrolysis in alkaline medium that is used in the quantitative determination of 3-cyano-3,3-diphenylpropionic acid.

제조 방법

In a 100 mL, nitrogen-flushed pear flask was added indium(III) bromide (2.0 mmol, 10 mol %) in CH2Cl2 (40 mL) to give a white suspension. To this at room temperature was added trimethylsilyl cyanide (40 mmol, 2.0 equiv.), followed by dropwise addition of alcohol (20 mmol, 1.0 equiv.) to give a moderate exothermic reaction. The mixture slowly turned clear, and TLC showed mostly the desire product. Saturated NaHCO3 was added and the mixture was concentrated in vacuo to remove the volatiles. The residue was partitioned between saturated NaHCO3 and ethyl acetate, and the aqueous layer was extracted one more time with ethyl acetate. Combined organic layers were dried over MgSO4, filtered and concentrated. The crude product was purified by flash column chromatography on silica gel (5% ethyl acetate/hexanes) to give the desired Diphenylacetonitrile.

일반 설명

Diphenylacetonitrile can be prepared in good yield by the dehydration of the amide of diphenyl acetic acid with phosphorous oxychloride.

Safety Profile

Poison by ingestion, intraperitoneal, and intravenous routes. Moderately toxic by subcutaneous route. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx, and CN-. See also NITRILES.

Purification Methods

Crystallise the nitrile from EtOH or pet ether (b 90-100o). [Beilstein 9 H 674, 9 IV 2505.]

디페닐아세토니트릴 준비 용품 및 원자재

원자재

준비 용품


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