2,6-Dichlorobenzoxazole (HCID 77175)

名称と識別子

優先名称: 2,6-Dichlorobenzoxazole
IUPAC: 2,6-dichloro-1,3-benzoxazole
現地名: 2,6-ジクロロベンゾオキサゾール
英語名: 2,6-Dichlorobenzoxazole
分子式: C7H3Cl2NO
分子量: 188.01

名称と別名

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]OXAZOLEMFCD07368635

名称をさらに表示

2,6-ジクロロベンゾオキサゾール2,6-ジクロロベンゾキサゾール2,6-ジクロロ-1,3-ベンゾオキサゾールDCBON-Butyldiolaminedichlorobenzoxazole2,6-chlorobenzoxazole6-Dichlorobenzoxazole2,6-Dichlorbenzoxazol2,6-Dichlorobenzoxazolel2,6-Dichlorobenzoxazole>2,6-dichlorobenzo[d]oxazole

2,6-dichlorobenzooxazole2,6-dichloro benzoxazole2,6-dichloro-benzoxazoleSCHEMBL8951722,6-Dichloro-1,3-benzooxazole2,6-DICHLORO-BENZOOXAZOLE2,6-dichlorobenzoxazole, AldrichCPRAB2806

データベース識別子

CAS: 3621-82-7
PubChem CID: 77175
DTXSID: DTXSID60189769
EC Number: 222-818-9
Nikkaji: J205.548A

物性

構造計算による物性

XLogP: 3.8
極性表面積: 26 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 155

物理化学的性質

融点: 49 · 49-51°C
沸点: 110 °C/13mmHg · 110°C/13mmHg(lit.)
比重(密度): 1.522 · 1.522±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -0.96 · -0.96±0.30(Predicted)
外見: fused solid
色: White
InChI: InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
InChIKey: LVVQTPZQNHQLOM-UHFFFAOYSA-N
SMILES: O1C2=CC(Cl)=CC=C2N=C1Cl
CAS データベース: 3621 · 3621-82-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

Hazard Classes and CategoriesAcute 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%)

法規制情報

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

安全データ

wgk: WGK 3
hs_code: 2934999090
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2,6-Dichlorobenzoxazole is used in the synthesis of 2-(3-(2,6-dichloro-4-(3,3-dichloroallyloxy)phenoxy)propoxy)-5-(trifluoromethyl)benzo[d]oxazole, an insecticide against Spodoptera exigua.