uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05246961
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IDENTITY
结构与身份
- 标准SMILES
- N#Cc1ccccc1O
- InChIKey
- CHZCERSEMVWNHL-UHFFFAOYSA-N
- 分子式
- C7H5NO
- 平均分子量
- 119.12 g/mol
- 单同位素质量
- 119.03711378
COMPUTED
结构计算性质
- XLogP
- 1.6
- 极性表面积
- 44 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 135
PROPERTIES
实验与物化性质
Ionization Efficiency
Positive
1.29
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
GHS
GHS分类
GHS Classification
Danger
H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (38.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (61.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (60%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (38.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (37.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 120 reports by companies from 11 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
Regulatory Information
Chemical: Benzonitrile, 2-hydroxy-
Status: Active Update: 30-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5252
2-Hydroxybenzonitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (99.2%)；Skin Irrit. 2 (38.3%)；Skin Sens. 1 (61.7%)；Eye Dam. 1 (60%)；Eye Irrit. 2 (38.3%)；STOT SE 3 (37.5%)
REGULATORY
法规信息
Regulatory Information
Chemical: Benzonitrile, 2-hydroxy-
Status: Active Update: 30-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5252
2-Hydroxybenzonitrile: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
General Manufacturing Information
Benzonitrile, 2-hydroxy-: ACTIVE
ALIASES
名称与别名
2-Hydroxybenzonitrile2-Cyanophenol611-20-1Salicylonitrileo-Cyanophenolo-HydroxybenzonitrileBenzonitrile, 2-hydroxy-DTXSID304166151RSM8K1VZNSC-53558DTXCID1021661RefChem:473406210-259-3SalicylnitrileBenzonitrile, hydroxy-Benzonitrile, o-hydroxy-o-HydoxybenzonitrileMFCD00002145Hydroxybenzonitrile2-Hydroxy-benzonitrile
REACTIONS
参与反应
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