3-Chloro-4-methylphenol 分子结构式
HCID14853

3-Chloro-4-methylphenol

C7H7ClO142.58 g/molCAS 615-62-3

IDENTITY

结构与身份

标准SMILES
Cc1ccc(O)cc1Cl
InChIKey
VQZRLBWPEHFGCD-UHFFFAOYSA-N
分子式
C7H7ClO
平均分子量
142.58 g/mol
单同位素质量
142.0185425

COMPUTED

结构计算性质

已同步
XLogP
3.3
极性表面积
20.2 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
9
形式电荷
0
复杂度
94

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (98%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (98%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (98%): 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)

Aggregated GHS information provided per 49 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

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (98%);Acute Tox. 4 (98%);Skin Irrit. 2 (100%);Eye Dam. 1 (98%);Acute Tox. 4 (98%);STOT SE 3 (98%)

USES

用途与制造

来源:PubChem
General Manufacturing Information

Phenol, 3-chloro-4-methyl-: ACTIVE

ALIASES

名称与别名

共 36 条
3-Chloro-4-methylphenol615-62-3Phenol, 3-chloro-4-methyl-EINECS 210-439-1NSC 157351DTXSID9060655RefChem:93443DTXCID4043064VQZRLBWPEHFGCD-UHFFFAOYSA-N3-Chloro-p-cresolp-Cresol, 3-chloro-3-chloro-4-methyl-phenolMFCD0006031947HY68GZ7QNSC-157351NSC157351UNII-47HY68GZ7QSCHEMBL305945SCHEMBL1379775SCHEMBL2841487

REACTIONS

参与反应

34
HRID 196670 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 228711 反应方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07560558B2

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HRID 279894 反应方程式

uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04587259

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HRID 279895 反应方程式

uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04587259

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HRID 284013 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 288685 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 465025 反应方程式

uspto-grants-1985_10 · 10.6084/m9.figshare.5104873.v1 · US04550121

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HRID 465026 反应方程式

uspto-grants-1985_10 · 10.6084/m9.figshare.5104873.v1 · US04550121

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