기본 정보
- CAS
1132-68-9- 표준 SMILES
N[C@@H](Cc1ccc(F)cc1)C(=O)O- InChIKey
XWHHYOYVRVGJJY-QMMMGPOBSA-N- 분자식
- C9H10FNO2
- 평균 분자량
- 183.18 g/mol
- 단동위원소 질량
- 183.06955672
이름 및 식별자
- 우선 이름
- 4-fluoro-L-phenylalanine
- IUPAC
- (2S)-2-amino-3-(4-fluorophenyl)propanoic acid
- 영어명
- L-4-Fluorophenylalanine
- 분자식
- C9H10FNO2
- 분자량
- 183.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1132-68-9、60-17-3- PubChem CID
- 716312
- DTXSID
DTXSID201017098- ChEMBL
CHEMBL1235242- ChEBI
CHEBI:44909- UNII
- E2K2VDK6KK
- EC Number
- 200-459-9、601-248-8
- Nikkaji
- J863J
물성
구조 계산 물성
- XLogP
- -1.9
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 178
물리화학적 성질
- 녹는점
- 255 °C · ~255 °C (dec.)
- 끓는 점
- 313.3 · 313.3±32.0 °C(Predicted)
- 밀도
- 1.1939 · 1.1939 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 산도 계수 (pKa)
- 2.2 · 2.20±0.10(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- 수용성
- 0.5 M · 물과 0.5M HCl(50mg/ml)에 용해됩니다.
- BRN
- 2416148 · 2416148
- InChI
- InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
- InChIKey
- XWHHYOYVRVGJJY-QMMMGPOBSA-N
- SMILES
- C(O)(=O)[C@H](CC1=CC=C(F)C=C1)N
화학적 성질
white to off-white powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
안전 데이터
- wgk
- 3
- rtecs
- DW1765000
- HS 번호
- 29224999
- safety_code
- 23-24/25
- 위험 참고 사항
- Harmful
화학 및 산업
응용 분야
용도4-Fluoro-L-phenylalanine is a substrate for tyrosine hydroxylase (TH) that has been used to study the regulation of that enzyme.
상·하류 제품 정보
상류 원료
하류 제품
공급사6 곳
추가 설명
정의ChEBI: A L-phenylalanine derivative that is L-phenylalanine in which the hydrogen at position 4 on the benzene ring is replaced by a fluoro group.
관련 반응
화합물 노트
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