5,5,5-Trifluoro-DL-norvaline

HCID 253377CAS 2365-80-2

基本情報

標準SMILES: NC(CCC(F)(F)F)C(=O)O
InChIKey: KTZZIDWVKLDWBF-UHFFFAOYSA-N
分子式: C5H8F3NO2
平均分子量: 171.12 g/mol
単同位体質量: 171.05071298

名称と識別子

優先名称: 5,5,5-Trifluoro-DL-norvaline
IUPAC: 2-amino-5,5,5-trifluoropentanoic acid
英語名: 2-Amino-5,5,5-trifluoropentanoic acid, 2-Amino-5,5,5-trifluorovaleric acid
分子式: C5H8F3NO2
分子量: 171.12

名称と別名

5,5,5-Trifluoro-DL-norvalineRefChem:527666807-066-75,5,5-trifluoronorvaline2-amino-5,5,5-trifluoropentanoic acid2365-80-223809-57-6MFCD001906482-Amino-5,5,5-trifluoro-pentanoic acidNSC76293SCHEMBL310317DTXSID90950040

名称をさらに表示

Norvaline, 5,5,5-trifluoro-5,5,5-Trifluoro-DL-norvaline96%5,5,5-Trifluoro-DL-norvaline 96%2-Amino-5,5,5-trifluoropentanoic acid, 2-Amino-5,5,5-trifluorovaleric acid

KTZZIDWVKLDWBF-UHFFFAOYSA-NHMS1661P02NSC-76293SBB0884722-amino-5,5,5-trifluoropentanoicacidAKOS005063402HY-W073738DA-66191

データベース識別子

CAS: 2365-80-2
PubChem CID: 253377
DTXSID: DTXSID90950040
EC Number: 807-066-7

物性

構造計算による物性

XLogP: -1.5
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 145

物理化学的性質

融点: 254 · 254-256 °C
沸点: 206.7 · 206.7±40.0 °C(Predicted)
比重(密度): 1.356 · 1.356±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 2.17 · 2.17±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (50%)

安全データ

hs_code: 2922498590

化学と産業

上流・下流製品情報

上流原料

サプライヤー6 社

北京依凯诺医药技术开发有限公司18518619637 · [email protected]

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江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]