2,3-Difluorobenzonitrile 分子结构式
HCID88935

2,3-Difluorobenzonitrile

C7H3F2N139.1 g/molCAS 21524-39-0

IDENTITY

结构与身份

标准SMILES
N#Cc1cccc(F)c1F
InChIKey
GKPHNZYMLJPYJJ-UHFFFAOYSA-N
分子式
C7H3F2N
平均分子量
139.1 g/mol
单同位素质量
139.02335542

COMPUTED

结构计算性质

已同步
XLogP
1.8
极性表面积
23.8 Ų
氢键供体
0
氢键受体
3
可旋转键
0
重原子
10
形式电荷
0
复杂度
160

GHS

GHS分类

GHS Classification

Warning

H302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (95.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (95.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (93.9%): 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, P317, 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 49 reports by companies from 9 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

Acute Tox. 4 (95.9%);Acute Tox. 4 (95.9%);Skin Irrit. 2 (100%);Eye Irrit. 2 (98%);Acute Tox. 4 (95.9%);STOT SE 3 (93.9%)

ALIASES

名称与别名

共 32 条
2,3-Difluorobenzonitrile21524-39-0DTXSID40175862RefChem:81645DTXCID9098353244-418-3Benzonitrile, 2,3-difluoro-MFCD000099762,3-difluorobenzenecarbonitriledifluorobenzonitrile2,3-Difluorobenzonitril2,3-difluoro-benzonitrileSCHEMBL1585371,2-difluoro-3-cyano-benzeneSCHEMBL2649838SCHEMBL2649839SCHEMBL304438472,3-Difluorobenzonitrile, 98%EINECS 244-418-3CL8131

REACTIONS

相关反应

35
HRID 13375 反应方程式

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HRID 13379 反应方程式

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HRID 100979 反应方程式

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HRID 107757 反应方程式

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HRID 189348 反应方程式

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HRID 229932 反应方程式

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HRID 337120 反应方程式

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