4-fluoro-L-phenylalanine 分子结构式
HCID716312

4-fluoro-L-phenylalanine

(2S)-2-amino-3-(4-fluorophenyl)propanoic acid

C9H10FNO2183.18 g/molCAS 1132-68-9

IDENTITY

结构与身份

标准SMILES
N[C@@H](Cc1ccc(F)cc1)C(=O)O
InChIKey
XWHHYOYVRVGJJY-QMMMGPOBSA-N
分子式
C9H10FNO2
平均分子量
183.18 g/mol
单同位素质量
183.06955672

COMPUTED

结构计算性质

已同步
XLogP
-1.9
极性表面积
63.3 Ų
氢键供体
2
氢键受体
4
可旋转键
3
重原子
13
形式电荷
0
复杂度
178

GHS

GHS分类

来源:PubChem
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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute 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%)

ALIASES

名称与别名

共 67 条
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:84060RefChem:523460DTXCID401475290601-248-84-Fluorophenylalanineh-phe(4-f)-oh(s)-2-amino-3-(4-fluorophenyl)propanoic acidMFCD00063064UNII-E2K2VDK6KK

REACTIONS

参与反应

7
HRID 1014910 反应方程式

uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07985575B2

查看
HRID 1173650 反应方程式

uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07834051B2

查看
HRID 1489557 反应方程式

uspto-grants-1997_10 · 10.6084/m9.figshare.5104873.v1 · US05679671

查看
HRID 1759609 反应方程式

uspto-grants-1982_07 · 10.6084/m9.figshare.5104873.v1 · US04341698

查看
HRID 1903366 反应方程式

uspto-grants-1984_03 · 10.6084/m9.figshare.5104873.v1 · US04435571

查看
HRID 1967322 反应方程式

uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08420694B2

查看
HRID 1980040 反应方程式

uspto-grants-1984_11 · 10.6084/m9.figshare.5104873.v1 · US04483988

查看