(6-Hydroxynaphthalen-2-yl)boronic acid 分子结构式
HCID4349738

(6-Hydroxynaphthalen-2-yl)boronic acid

C10H9BO3187.99 g/molCAS 173194-95-1

IDENTITY

结构与身份

标准SMILES
OB(O)c1ccc2cc(O)ccc2c1
InChIKey
SNJANQMHRGSHFN-UHFFFAOYSA-N
分子式
C10H9BO3
平均分子量
187.99 g/mol
单同位素质量
188.0644743

COMPUTED

结构计算性质

已同步
极性表面积
60.7 Ų
氢键供体
3
氢键受体
3
可旋转键
1
重原子
14
形式电荷
0
复杂度
198

GHS

GHS分类

GHS Classification

Warning

H302 (18.5%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (85.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (83.3%): 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, 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 54 reports by companies from 7 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

Status: Active Update: 21-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/7159

Hazard Classes and Categories

Acute Tox. 4 (18.5%);Skin Irrit. 2 (85.2%);Eye Irrit. 2A (100%);STOT SE 3 (83.3%)

REGULATORY

法规信息

Regulatory Information

Status: Active Update: 21-12-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/7159

ALIASES

名称与别名

共 37 条
173194-95-1(6-hydroxynaphthalen-2-yl)boronic AcidEC 687-349-8DTXSID60402228RefChem:405057DTXCID00353083687-349-86-Hydroxy-2-naphthaleneboronic acid6-Hydroxynaphthalene-2-boronic acid6-hydroxynaphthalen-2-ylboronic acidMFCD00092986Boronic acid, B-(6-hydroxy-2-naphthalenyl)-6-Hydroxy-2-naphthaleneboronicacidC10H9BO3(6-HYDROXY-2-NAPHTHYL)BORONIC ACID6-Hydroxyl-2-naphthaleneboronicacidBoronic acid, (6-hydroxy-2-naphthalenyl)-Boronic acid,B-(6-hydroxy-2-naphthalenyl)-(6-hydroxy-2-naphthalenyl)boronic acidSCHEMBL8649

REACTIONS

相关反应

14
HRID 58397 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434698B2

查看
HRID 58398 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434698B2

查看
HRID 341636 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08895737B2

查看
HRID 525208 反应方程式

uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09340529B2

查看
HRID 1545471 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

查看
HRID 1771453 反应方程式

uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09249132B2

查看
HRID 1771454 反应方程式

uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09249132B2

查看
HRID 1771455 反应方程式

uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09249132B2

查看