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结构：N#Cc1ccccc1O
HCID11907

2-Hydroxybenzonitrile

C7H5NO119.12 g/molCAS 611-20-1
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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

已同步
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

来源：PubChem
Ionization Efficiency

Positive

1.29

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

GHS

GHS 分类

来源：PubChem
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

来源：PubChem
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

来源：PubChem
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

来源：PubChem
General Manufacturing Information

Benzonitrile, 2-hydroxy-: ACTIVE

ALIASES

名称与别名

共 78 条
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

177 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂