기본 정보
- 표준 SMILES
[C-]#[N+]CC- InChIKey
BPCWCZCOOFUXGQ-UHFFFAOYSA-N- 분자식
- C3H5N
- 평균 분자량
- 55.08 g/mol
- 단동위원소 질량
- 55.04219916
이름 및 식별자
- 우선 이름
- Ethane, isocyano-
- IUPAC
- isocyanoethane
- 현지명
- 에틸이소시아나이드
- 영어명
- Ethyl isocyanide
- 분자식
- C3H5N
- 분자량
- 55.08
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
624-79-3- PubChem CID
- 12226
- DTXSID
DTXSID90977959- EC Number
- 210-863-7
- Nikkaji
- J6.855A
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 4.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 4
- 형식 전하
- 0
- 복잡도
- 38.5
물리화학적 성질
- 끓는 점
- 96.85 °C · 96.85°C (estimate)
- 밀도
- 0.7378 · 0.7378
- 굴절률
- 1.3607 · 1.3607
- 수용성
- 999 mg/L · 999mg/L(온도 미표시)
- EPA
- Ethane, isocyano- (624-79-3)
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- ridadr
- UN2929
- 위험 등급
- 6.1, 3
화학 및 산업
응용 분야
용도Principal use in toxicology was in the characterization of cytochrome P450 isozymes. Ethyl isocyanide and the reduced cytochrome form a characteristic optical difference spectrum with two peaks in the Soret Region (type III). The pH equilibrium point (the pH at which the two peaks are of equal height) varies between different isozymes.
제조 방법
CAUTION: The reaction and distillation should be conducted behind a safety shield. Precautions for handling toxic cyanides should be observed.To a three-necked flask equipped with a condenser and ground glass stirrer (or Hershberg stirrer) is added 116 gm (0.75 mole) of ethyl iodide and 100 gm (0.75 mole) of silver cyanide. The mixture is refluxed for 2 hr, the stirrer blade raised, the mixture cooled, filtered (see Note a), the solid washed with ether, dried, and 260 gm of a 50% solution of potassium cyanide (2.0 moles) added. The reaction mixture is distilled to afford a mixture of isonitrile and water (see Note b). The crude isonitrile 49.5- 52.3 gm (90-95%) is separated after being salted out of the water. The isonitrile is washed twice with 24-ml portions of ice-cold saturated sodium chloride solution, dried over magnesium sulfate, and fractionally distilled, to afford 25.9-30.3 gm (47-55%), b.p. 77-79°C (760 mm Hg).
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