4-fluoro-L-phenylalanine

HCID 716312

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

1132-68-94-FLUORO-L-PHENYLALANINEp-Fluoro-L-phenylalanineL-4-Fluorophenylalanine(s)-4-fluorophenylalanine(2S)-2-amino-3-(4-fluorophenyl)propanoic acidL-Phenylalanine, 4-fluoro-S-(-)-p-FluorophenylalanineE2K2VDK6KKCHEBI:44909DTXSID201017098CHEBI:84060
이름 더 보기
L-4-F-PheL-4-F-Phe-OHL-4-F-Phe-0HL-4-FLUOROPHEH-PHE(P-F)-OHL-Phe(4-F)-OHH-L-PHE(4-F)-OH4-FLUORO-PHE-OH
RefChem:523460DTXCID401475290601-248-84-Fluorophenylalanineh-phe(4-f)-oh(s)-2-amino-3-(4-fluorophenyl)propanoic acidMFCD00063064UNII-E2K2VDK6KK

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

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)

화학적 성질

white to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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

Hazard Classes and CategoriesAcute Tox. 4 (66.7%);Acute Tox. 4 (66.7%);Skin Irrit. 2 (33.3%);Eye Irrit. 2 (33.3%);Acute Tox. 4 (66.7%);STOT SE 3 (33.3%)

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.

공급사6 곳

上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]

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

7건

화합물 노트

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