4-(Trifluoromethyl)phenylalanine
기본 정보
- CAS
14091-16-8- 표준 SMILES
NC(Cc1ccc(C(F)(F)F)cc1)C(=O)O- InChIKey
CRFFPDBJLGAGQL-UHFFFAOYSA-N- 분자식
- C10H10F3NO2
- 평균 분자량
- 233.19 g/mol
- 단동위원소 질량
- 233.06636322
개요
an unnatural amino acid; structure in first source
이름 및 식별자
- 우선 이름
- 4-(Trifluoromethyl)phenylalanine
- IUPAC
- 2-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid
- 영어명
- 4-(Trifluoromethyl)-DL-phenylalanine
- 분자식
- C10H10F3NO2
- 분자량
- 233.19
이름 및 동의어
4-(trifluoromethyl)phenylalanineDTXSID90930943tfm-PheRefChem:463729trifluoromethylphenylalaninetrifluoromethyl-phenylalaninetri-fluoromethyl-phenylalanineDTXCID1013596614-(Trifluoromethyl)-dl-phenylalanine14091-16-82-amino-3-[4-(trifluoromethyl)phenyl]propanoic Acid2-amino-3-(4-(trifluoromethyl)phenyl)propanoic acid
이름 더 보기
DL-4-Trifluoromethyl-Phe-OH4-Trifluoromethylphenylalanine(S)-4-trifluoromethylphenylalaninePhenylalanine, 4-(trifluoromethyl)-4-(Trifluoromethyl)-DL-phenylalanine97%4-Trifluoromethyl-DL-phenylalanine(P-'')4-(Trifluoromethyl)-DL-phenylalanine 97%4-(Trifluoromethyl)-DL-Phenylalanine, ≥98%4-(TRIFLUOROMETHYL)-DL-PHENYLALANINE USP/EP/BP
4-trifluoromethyl-dl-phenylalanineMFCD00070813L-4-TrifluoromethylphenylalanineD-4-TrifluoromethylphenylalanineH-D-Phe(4-CF3)-OH.HCl(2R)-2-amino-3-[4-(trifluoromethyl)phenyl]propanoic acidDL-Phenylalanine, 4-(trifluoromethyl)-P-TRIFLUOROMETHYL-D-PHENYLALANINE
데이터베이스 식별자
- CAS
14091-16-8- PubChem CID
- 2777605
- DTXSID
DTXSID90930943- EC Number
- 671-792-9
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 247
물리화학적 성질
- 끓는 점
- 311.5 · 311.5±42.0 °C(Predicted)
- 밀도
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 산도 계수 (pKa)
- 2.15 · 2.15±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2922498590
- risk_code
- 36/37/38
- hazard_code
- T,Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT-HARMFUL
- 위험 참고 사항
- Toxic
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…