结构:N#Cc1ccc([N+](=O)[O-])cc1O
HCID286148

2-Hydroxy-4-nitrobenzonitrile

C7H4N2O3164.12 g/molCAS 39835-14-8

IDENTITY

结构与身份

标准 SMILES
N#Cc1ccc([N+](=O)[O-])cc1O
InChIKey
DZNPHVPBCNZVGW-UHFFFAOYSA-N
分子式
C7H4N2O3
平均分子量
164.12 g/mol
单同位素质量
164.02219199

COMPUTED

结构计算性质

已同步
XLogP
2.3
极性表面积
89.8 Ų
氢键供体
1
氢键受体
4
可旋转键
0
重原子
12
形式电荷
0
复杂度
227

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): 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 2 reports by companies from 2 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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (50%);Acute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Irrit. 2 (100%);Acute Tox. 4 (50%);STOT SE 3 (50%)

ALIASES

名称与别名

22
2-hydroxy-4-nitrobenzonitrile39835-14-82-Cyano-5-nitrophenolMFCD022588752-Hydroxy-4-nitro-benzonitrile39035-14-8Benzonitrile, 2-hydroxy-4-nitro-NSC1439814-nitro-2-hydroxybenzonitrileSCHEMBL361541DTXSID70960400DZNPHVPBCNZVGW-UHFFFAOYSA-NCL9070AKOS006223876FH70360NSC 143981NSC-143981AC-26136AS-46196SY238455

REACTIONS

参与反应

30
HRID97164

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

作为反应物
HRID 97164 方程式

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

查看条件与参与物
HRID105160

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

作为反应物
HRID 105160 方程式

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

查看条件与参与物
HRID306547

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 306547 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物