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结构：O=c1[nH]c2ccc(Cl)cc2o1
HCID29858

6-Chloro-2,3-dihydrobenzoxazol-2-one

6-chloro-3H-1,3-benzoxazol-2-one

C7H4ClNO2169.56 g/molCAS 19932-84-4
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IDENTITY

结构与身份

标准 SMILES
O=c1[nH]c2ccc(Cl)cc2o1
InChIKey
MATCZHXABVLZIE-UHFFFAOYSA-N
分子式
C7H4ClNO2
平均分子量
169.56 g/mol
单同位素质量
168.9930561

COMPUTED

结构计算性质

已同步
XLogP
1.8
极性表面积
38.3 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
11
形式电荷
0
复杂度
185

PROPERTIES

实验与物化性质

来源：PubChem
Collision Cross Section

125.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2041545]

GHS

GHS 分类

来源：PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): 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, 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 41 reports by companies from 4 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 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

USES

用途与制造

来源：PubChem
Use Classification

Environmental transformation -> Pesticide transformation products (metabolite, successor)

ALIASES

名称与别名

共 72 条
19932-84-46-Chloro-2-benzoxazolinone2(3H)-Benzoxazolone, 6-chloro-6-Chlorobenzoxazolone6-Chloro-2,3-dihydrobenzoxazol-2-oneDTXSID2041545PG1JLE50LENSC-26191DTXCID0021545CDHB cpdRefChem:104373634-962-36-Chloro-1,3-benzoxazol-2(3H)-one6-Chlorobenzo[d]oxazol-2(3H)-one6-Chlorobenzoxazolinone6-chloro-3H-1,3-benzoxazol-2-one6-Chloro-2-benzoxazolone2-BENZOXAZOLINONE, 6-CHLORO-6-chloro-2,3-dihydro-1,3-benzoxazol-2-oneHOE 54014

REACTIONS

参与反应

21 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID111394

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

作为反应物
HRID 111394 方程式

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

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HRID318895

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

作为反应物
HRID 318895 方程式

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

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HRID667396

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

作为反应物
HRID 667396 方程式

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

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HRID677020

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

作为反应物
HRID 677020 方程式

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

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HRID702808

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

作为反应物
HRID 702808 方程式

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

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HRID951700

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

作为反应物
HRID 951700 方程式

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

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