2,6-Dichlorobenzoxazole 分子结构式
HCID77175

2,6-Dichlorobenzoxazole

2,6-dichloro-1,3-benzoxazole

C7H3Cl2NO188.01 g/molCAS 3621-82-7

IDENTITY

结构与身份

标准SMILES
Clc1ccc2nc(Cl)oc2c1
InChIKey
LVVQTPZQNHQLOM-UHFFFAOYSA-N
分子式
C7H3Cl2NO
平均分子量
188.01 g/mol
单同位素质量
186.9591691

COMPUTED

结构计算性质

已同步
XLogP
3.8
极性表面积
26 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
11
形式电荷
0
复杂度
155

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (50.6%): Toxic in contact with skin [Danger Acute toxicity, dermal];H314 (49.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317 (49.4%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (48.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H400 (49.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (50.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 81 reports by companies from 8 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
Regulatory Information

Status: Active Update: 06-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11973

Hazard Classes and Categories

Acute Tox. 4 (98.8%);Acute Tox. 3 (50.6%);Skin Corr. 1B (49.4%);Skin Sens. 1 (49.4%);Eye Irrit. 2 (48.1%);Aquatic Acute 1 (49.4%);Aquatic Chronic 1 (50.6%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Status: Active Update: 06-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11973

ALIASES

名称与别名

共 31 条
2,6-Dichlorobenzoxazole3621-82-7EINECS 222-818-9DTXSID60189769EC 222-818-9RefChem:83184DTXCID70112260222-818-92,6-dichloro-1,3-benzoxazolebenzoxazole, 2,6-dichloro-2,6-DICHLOROBENZO[D]OXAZOLEMFCD073686352,6-dichlorobenzooxazole2,6-dichloro benzoxazole2,6-dichloro-benzoxazoleSCHEMBL8951722,6-Dichloro-1,3-benzooxazole2,6-DICHLORO-BENZOOXAZOLE2,6-dichlorobenzoxazole, AldrichCPRAB2806

REACTIONS

参与反应

38
HRID 61009 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09440982B2

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HRID 84170 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846930B2

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HRID 193899 反应方程式

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

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HRID 222411 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207220B2

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HRID 222413 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207220B2

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HRID 235550 反应方程式

uspto-grants-1987_02 · 10.6084/m9.figshare.5104873.v1 · US04640703

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HRID 297793 反应方程式

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

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HRID 331156 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877744B2

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