2-Chloro-5-fluorotoluene 分子结构式
HCID118475

2-Chloro-5-fluorotoluene

1-chloro-4-fluoro-2-methylbenzene

C7H6ClF144.57 g/molCAS 33406-96-1

IDENTITY

结构与身份

标准SMILES
Cc1cc(F)ccc1Cl
InChIKey
NIOGDCDTKPQEAT-UHFFFAOYSA-N
分子式
C7H6ClF
平均分子量
144.57 g/mol
单同位素质量
144.014206

COMPUTED

结构计算性质

已同步
XLogP
3.6
极性表面积
0 Ų
氢键供体
0
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

GHS Classification

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 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

Hazard Classes and Categories

Flam. Liq. 3 (100%);Skin Irrit. 2 (87.5%);Eye Irrit. 2 (87.5%);STOT SE 3 (75%)

ALIASES

名称与别名

共 29 条
2-Chloro-5-fluorotoluene33406-96-11-chloro-4-fluoro-2-methylbenzeneEINECS 251-508-6DTXSID10187053RefChem:469342DTXCID20109544251-508-6MFCD00040853Benzene, 1-chloro-4-fluoro-2-methyl-3-fluoro-6-chlorotoluene1-Chloro-4-fluoro-2-methyl-benzeneTrelagliptin Impurity 120SCHEMBL343371SCHEMBL600882SCHEMBL687350SCHEMBL2341584SCHEMBL2347578SBB086375AKOS005255218

REACTIONS

相关反应

19
HRID 49195 反应方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06706732B1

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HRID 198867 反应方程式

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

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HRID 515298 反应方程式

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09108939B2

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HRID 687029 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 750576 反应方程式

uspto-grants-2008_07 · 10.6084/m9.figshare.5104873.v1 · US07405218B2

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HRID 1068602 反应方程式

uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06251903B1

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HRID 1068657 反应方程式

uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06251903B1

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HRID 1123012 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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