7-Bromo-2-tetralone 分子结构式
HCID3691574

7-Bromo-2-tetralone

7-bromo-3,4-dihydro-1H-naphthalen-2-one

C10H9BrO225.08 g/molCAS 132095-54-6

IDENTITY

结构与身份

标准SMILES
O=C1CCc2ccc(Br)cc2C1
InChIKey
NCTYMQMYDHAKCE-UHFFFAOYSA-N
分子式
C10H9BrO
平均分子量
225.08 g/mol
单同位素质量
223.98368

COMPUTED

结构计算性质

已同步
XLogP
2.3
极性表面积
17.1 Ų
氢键供体
0
氢键受体
1
可旋转键
0
重原子
12
形式电荷
0
复杂度
190

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];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, 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 2 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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

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

ALIASES

名称与别名

共 21 条
7-BROMO-2-TETRALONE132095-54-6DTXSID50395115RefChem:310412DTXCID103459747-bromo-3,4-dihydro-1H-naphthalen-2-one7-bromo-3,4-dihydronaphthalen-2(1H)-one2(1H)-Naphthalenone, 7-bromo-3,4-dihydro-7-bromo-1,2,3,4-tetrahydronaphthalen-2-oneMFCD040384867-bromotetralin-2-oneSCHEMBL415637NCTYMQMYDHAKCE-UHFFFAOYSA-NCS-B0104AKOS015835919AB17100AS-65228SY008088DB-029351EN300-379516

REACTIONS

参与反应

31
HRID 100906 反应方程式

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

查看
HRID 381536 反应方程式

uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06306865B1

查看
HRID 457605 反应方程式

uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07189722B2

查看
HRID 457609 反应方程式

uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07189722B2

查看
HRID 458528 反应方程式

uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07192954B2

查看
HRID 458542 反应方程式

uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07192954B2

查看
HRID 656353 反应方程式

uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08071770B2

查看
HRID 656358 反应方程式

uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08071770B2

查看