CAS 97859-49-9 (5R)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (HCID 10236003)

基本情報

CAS: 97859-49-9
標準SMILES: O=C1NC[C@H](CO)O1
InChIKey: LSYOFPBORRARMF-GSVOUGTGSA-N
分子式: C4H7NO3
平均分子量: 117.1 g/mol
単同位体質量: 117.04259309

名称と識別子

優先名称: (5R)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
IUPAC: (5R)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
英語名: (R)-5-(hydroxyMethyl)oxazolidin-2-one
分子式: C4H7NO3
分子量: 117.1

名称と別名

97859-49-9(5R)-5-(hydroxymethyl)-1,3-oxazolidin-2-oneRefChem:404405827-792-8(R)-5-(hydroxymethyl)oxazolidin-2-oneMFCD264078532-Oxazolidinone, 5-(hydroxymethyl)-, (5R)-SCHEMBL523804(R)-5-hydroxymethyloxazolidin-2-oneWS-03143EN300-137499SCHEMBL7479213

名称をさらに表示

A7712RMephenoxalone Impurity 2(R)-5-Hydroxymethyl-2-oxazolidinone(R)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

AKOS026728049(5R)-5-(hydroxymethyl)oxazolidin-2-oneSY043296DB-223438CS-0131343F468535

データベース識別子

CAS: 97859-49-9
PubChem CID: 10236003
EC Number: 827-792-8
Nikkaji: J1.513.213B

物性

構造計算による物性

XLogP: -0.9
極性表面積: 58.6 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 103

物理化学的性質

融点: 93 ℃ · 93.0℃ (isopropanol )
沸点: 430.6 · 430.6±14.0 °C(Predicted)
比重(密度): 1.288 · 1.288±0.06 g/cm3(Predicted)
貯蔵温度: Store at room temperature
酸解離定数(Pka): 12.33 · 12.33±0.40(Predicted)
InChI: InChI=1S/C4H7NO3/c6-2-3-1-5-4(7)8-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1
InChIKey: LSYOFPBORRARMF-GSVOUGTGSA-N
SMILES: O1[C@@H](CO)CNC1=O

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2934999090

化学と産業

サプライヤー42 社

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

化合物ノート

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