2,5-Dichlorobenzonitrile 分子结构式
HCID89000

2,5-Dichlorobenzonitrile

C7H3Cl2N172.01 g/molCAS 21663-61-6

IDENTITY

结构与身份

标准SMILES
N#Cc1cc(Cl)ccc1Cl
InChIKey
LNGWRTKJZCBXGT-UHFFFAOYSA-N
分子式
C7H3Cl2N
平均分子量
172.01 g/mol
单同位素质量
170.9642545

COMPUTED

结构计算性质

已同步
XLogP
2.6
极性表面积
23.8 Ų
氢键供体
0
氢键受体
1
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 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (13%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (10.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (95.7%): 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 46 reports by companies from 6 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

Regulatory Information

Chemical: Benzonitrile, 2,5-dichloro-

Other Safety Information

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and Categories

Acute Tox. 4 (15.2%);Acute Tox. 4 (13%);Skin Irrit. 2 (97.8%);Eye Irrit. 2 (100%);Acute Tox. 4 (10.9%);STOT SE 3 (95.7%)

REGULATORY

法规信息

Regulatory Information

Chemical: Benzonitrile, 2,5-dichloro-

ALIASES

名称与别名

共 32 条
2,5-Dichlorobenzonitrile21663-61-6Benzonitrile, 2,5-dichloro-DTXSID70176049EINECS 244-518-7NSC 166361AI3-33405RefChem:82810DTXCID6098540244-518-7LNGWRTKJZCBXGT-UHFFFAOYSA-NMFCD000197412,5-dichlorobenzenecarbonitrileNSC166361SCHEMBL104941SCHEMBL5843414BBL011046CK2138SBB063683AKOS005254736

REACTIONS

相关反应

16
HRID 95676 反应方程式

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

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HRID 122059 反应方程式

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

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HRID 154587 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 397518 反应方程式

uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06610701B2

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HRID 747607 反应方程式

uspto-grants-2008_07 · 10.6084/m9.figshare.5104873.v1 · US07396958B2

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HRID 849488 反应方程式

uspto-grants-2000_01 · 10.6084/m9.figshare.5104873.v1 · US06013654

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HRID 857721 反应方程式

uspto-grants-2006_12 · 10.6084/m9.figshare.5104873.v1 · US07144899B2

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HRID 947621 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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