Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester 分子结构式
HCID87895

Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester

ethyl 4-hydroxy-3-nitrobenzoate

C9H9NO5211.17 g/molCAS 19013-10-6

IDENTITY

结构与身份

标准SMILES
CCOC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIKey
FBHJNBWUGONVNS-UHFFFAOYSA-N
分子式
C9H9NO5
平均分子量
211.17 g/mol
单同位素质量
211.04807239

COMPUTED

结构计算性质

已同步
XLogP
2.7
极性表面积
92.4 Ų
氢键供体
1
氢键受体
5
可旋转键
3
重原子
15
形式电荷
0
复杂度
249

GHS

GHS分类

来源:PubChem
GHS Classification

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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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.

ALIASES

名称与别名

共 29 条
Ethyl 4-hydroxy-3-nitrobenzoatebenzoic acid, 4-hydroxy-3-nitro-, ethyl esterEINECS 242-751-9DTXSID90172487RefChem:118464DTXCID2094978242-751-9FBHJNBWUGONVNS-UHFFFAOYSA-NInChI=1/C9H9NO5/c1-2-15-9(12)6-3-4-8(11)7(5-6)10(13)14/h3-5,11H,2H2,1H19013-10-6MFCD000169994-Hydroxy-3-nitrobenzoic acid ethyl esterSCHEMBL2965278ethyl 3-nitro-4-hydroxybenzoateethyl 4-hydroxy-3-nitro-benzoate7L2826R7MUALBB-024675SBB058353STL365608AKOS000369779

REACTIONS

参与反应

22
HRID 112498 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 151345 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 323823 反应方程式

uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06214845B1

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HRID 323824 反应方程式

uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06214845B1

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HRID 363033 反应方程式

uspto-grants-1999_02 · 10.6084/m9.figshare.5104873.v1 · US05872138

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HRID 378507 反应方程式

uspto-grants-2000_02 · 10.6084/m9.figshare.5104873.v1 · US06030987

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HRID 378508 反应方程式

uspto-grants-2000_02 · 10.6084/m9.figshare.5104873.v1 · US06030987

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HRID 465046 反应方程式

uspto-grants-1985_10 · 10.6084/m9.figshare.5104873.v1 · US04550118

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