페닐이소티오시아네이트
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페닐이소티오시아네이트 속성
- 녹는점
- −21 °C(lit.)
- 끓는 점
- 218 °C(lit.)
- 밀도
- 1.132 g/mL at 20 °C(lit.)
- 증기압
- 10 hPa (20 °C)
- 굴절률
- n
20/D 1.6515(lit.)
- 인화점
- 190 °F
- 저장 조건
- 2-8°C
- 용해도
- 물: 불용성
- 물리적 상태
- 액체
- Specific Gravity
- 1.137 (20/4℃)
- 색상
- 맑은 연한 노란색에서 노란색까지
- 수용성
- 알코올과 에테르에 용해됩니다. 물에 불용성.
- 감도
- Moisture Sensitive
- Merck
- 14,7297
- BRN
- 471392
- Dielectric constant
- 10.7(20℃)
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제, 강산과 호환되지 않습니다.
- InChIKey
- QKFJKGMPGYROCL-UHFFFAOYSA-N
- LogP
- 3.280
- CAS 데이터베이스
- 103-72-0(CAS DataBase Reference)
안전
- 위험 및 안전 성명
- 위험 및 사전주의 사항 (GHS)
위험품 표기 | T,N,Xn,F | ||
---|---|---|---|
위험 카페고리 넘버 | 25-34-42/43-51/53-67-65-50/53-36/37/38-22-11-38-63-23/24/25-36/38 | ||
안전지침서 | 9-16-29-33-60-61-62-36-26-23-45-36/37/39-38-28A-36/37 | ||
유엔번호(UN No.) | UN 1993 3/PG 2 | ||
WGK 독일 | 3 | ||
RTECS 번호 | NX9275000 | ||
F 고인화성물질 | 19 | ||
TSCA | Yes | ||
HS 번호 | 2930 90 98 | ||
위험 등급 | 6.1 | ||
포장분류 | II | ||
독성 | LD50 orally in Rabbit: 157 mg/kg | ||
기존화학 물질 | KE-21760 |
페닐이소티오시아네이트 C화학적 특성, 용도, 생산
화학적 성질
colourless to pale yellow liquid with a penetrating odour용도
Phenyl isothiocyanate is the reagent of choice in automated Edman degradation systems. However, this reagent is highly toxic and for manual modification other reagents are preferred such as dimethy laminoazobenzene isothiocyanate (Chang, 1983; Wang et al, 2000) or trifluoroethyl isothiocyanate (Bartlet-Jones et al, 1994). This last reagent has the advantage of being volatile, so that the excess of reagent is easily removed by vacuum before MS analysis (Spengler, 1997). This compound was used successfully during seven successive cycles of manual cleavage coupled with MS analysis. Nevertheless, the high reactivity of such compounds seems to shows artefactual modification such as“acetylation' of the hydroxyl groups of the Ser and Thr. Allyl isothiocyanate shows better selectivity, but again this reagent is toxic and difficult to use in manual approaches (Gu & Preswich, 1997) .정의
ChEBI: Phenyl isothiocyanate is an isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation. It has a role as an allergen and a reagent.제조 방법
Synthetic procedure for phenyl isothiocyanate in 1-mol scaleInto a 2-L jacketed flask, 91.2 g of CS2 (1.2 mol) was dropwise added to a mixture of aniline (93.0 g, 1.0 mol) and K2CO3 (276.0 g, 2.0 mol) in 700 mL of water at room temperature within a period of 2.5 h. After the addition was complete, the mixture was stirred another 2 h. Then, the mixture was cooled to 0 °C, and a solution of 92.3 g of TCT (0.5 mol) in 450 mL of CH2Cl2 was dropwise added within 4 h. After the addition was complete, the mixture was stirred another 1 h to complete the conversion. The resulting mixture was basified to pH >11 with 250 mL of 6 N NaOH and yielded a clear solution. The organic layer was separated and the aqueous layer was extracted with 150 mL of CH2Cl2. The combined organic layers were dried over anhydrous Na2SO4, filtered, and the solvent of filtrate was removed via distillation under atmospheric pressure with a 25-cm Vigreux column. The residue was vacuum distilled and the desired product fraction was collected at 72–74 °C/1 mmHg. Finally, 127.0 g of colorless liquid (94%) was obtained.
Biological Functions
Phenyl isothiocyanate (PITC) is a well-established reagent in protein chemistry since its introduction in Edman degradation. PITC reacts with primary and secondary amines under alkaline conditions within 20 min. The resulting phenylthiocarbamyl (PTC) derivatives of the amino acids are stable and do not interfere with reaction by-products during chromatography. The absorption maximum is around 245 nm with a detection limit of 1 pmol.Phenyl isothiocyanate may be employed as a derivatization reagent for high-performance liquid chromatographic (HPLC) analysis of various amphetamine derivatives in body fluids for forensic purposes.
일반 설명
Phenyl isothiocyanate is an aromatic isothiocyanate. It participates in dehydration reactions of alcohols. It is widely used for synthesis of various biologically important heterocyclic compounds.Purification Methods
It is insoluble in H2O, but soluble in Et2O and EtOH. If impure (due to formation of thiourea), then steam distil it into a receiver containing 5-10mL of N H2SO4. Separate the oil, dry over CaCl2 and distil it under vacuum. [Dains et al. Org Synth Coll Vol I 447 1941, Beilstein 12 IV 867.]페닐이소티오시아네이트 준비 용품 및 원자재
원자재
준비 용품
페닐이소티오시아네이트 공급 업체
글로벌( 262)공급 업체
공급자 | 전화 | 이메일 | 국가 | 제품 수 | 이점 |
---|---|---|---|---|---|
Changzhou Zechong Biopharma Co., Ltd. | +undefined18621330623 |
sales@zechongchem.com | China | 28 | 58 |
Hebei Mojin Biotechnology Co., Ltd | +8613288715578 |
sales@hbmojin.com | China | 12470 | 58 |
Capot Chemical Co.,Ltd. | 571-85586718 +8613336195806 |
sales@capotchem.com | China | 29797 | 60 |
Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 |
info@tianfuchem.com | China | 21687 | 55 |
career henan chemical co | +86-0371-86658258 15093356674; |
sales@coreychem.com | China | 29914 | 58 |
SHANDONG ZHI SHANG CHEMICAL CO.LTD | +86 18953170293 |
sales@sdzschem.com | China | 2931 | 58 |
Hubei Jusheng Technology Co.,Ltd. | 18871490254 |
linda@hubeijusheng.com | CHINA | 28180 | 58 |
Hubei xin bonus chemical co. LTD | 86-13657291602 |
linda@hubeijusheng.com | CHINA | 22968 | 58 |
Chongqing Chemdad Co., Ltd | +86-023-6139-8061 +86-86-13650506873 |
sales@chemdad.com | China | 39916 | 58 |
CONIER CHEM AND PHARMA LIMITED | +8618523575427 |
sales@conier.com | China | 49391 | 58 |
페닐이소티오시아네이트 관련 검색:
페닐이소시안산 이소티오시안산오르소토릴에스테르 p- 토릴 이소티오시아네이트 페닐이소티오시아네이트 이소티오시안산메타토릴에스테르
4-BROMOPHENYL ISOTHIOCYANATE
Fluorescein isothiocyanate
Guanidine thiocyanate
Fluorescein isothiocyanate isomer I
PROPYL ISOTHIOCYANATE
BENZYL ISOTHIOCYANATE
ISOBUTYL ISOTHIOCYANATE
Methyl isothiocyanate
Butyl isothiocyanate
1-ADAMANTYL ISOTHIOCYANATE
CYCLOHEXYL ISOTHIOCYANATE
ISOTHIOCYANIC ACID 3-BUTEN-1-YL ESTER
3,4-DIMETHOXYPHENYL ISOTHIOCYANATE