3-Chloro-4-(trifluoromethyl)phenol 分子结构式
HCID13609147

3-Chloro-4-(trifluoromethyl)phenol

C7H4ClF3O196.55 g/molCAS 37900-81-5

IDENTITY

结构与身份

标准SMILES
Oc1ccc(C(F)(F)F)c(Cl)c1
InChIKey
KQFQPAJCFHNHKB-UHFFFAOYSA-N
分子式
C7H4ClF3O
平均分子量
196.55 g/mol
单同位素质量
195.9902769

COMPUTED

结构计算性质

已同步
XLogP
3.1
极性表面积
20.2 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
159

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Dam. 1 (100%);Acute Tox. 4 (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 21 条
37900-81-53-CHLORO-4-(TRIFLUOROMETHYL)PHENOLRefChem:499937896-474-93-Chloro-4-trifluoromethylphenolMFCD11849933Phenol, 3-chloro-4-(trifluoromethyl)-2-Chloro-4-hydroxybenzotrifluorideSCHEMBL364003SCHEMBL3458061SCHEMBL27977531SCHEMBL30026190AKOS016005958CS-W021902DS-2531MB10150SY103333TS-02781DB-356963EN300-1928718

REACTIONS

参与反应

9
HRID 120623 反应方程式

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

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HRID 508404 反应方程式

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09096500B2

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HRID 508414 反应方程式

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09096500B2

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HRID 1350825 反应方程式

uspto-grants-2007_05 · 10.6084/m9.figshare.5104873.v1 · US07214824B2

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HRID 1525643 反应方程式

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09085517B2

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HRID 1525670 反应方程式

uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09085517B2

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HRID 2359261 反应方程式

uspto-grants-2014_04 · 10.6084/m9.figshare.5104873.v1 · US08685977B2

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HRID 2359287 反应方程式

uspto-grants-2014_04 · 10.6084/m9.figshare.5104873.v1 · US08685977B2

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