CAS 3621-82-7 2,6-Dichlorobenzoxazole (HCID 77175)

이름 및 식별자

우선 이름: 2,6-Dichlorobenzoxazole
IUPAC: 2,6-dichloro-1,3-benzoxazole
현지명: 2,6-디클로로벤족사졸
영어명: 2,6-Dichlorobenzoxazole
분자식: C7H3Cl2NO
분자량: 188.01

이름 및 동의어

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

이름 더 보기

2,6-디클로로벤족사졸DCBON-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 155

물리화학적 성질

녹는점: 49 · 49-51°C
끓는 점: 110 °C/13mmHg · 110°C/13mmHg(lit.)
밀도: 1.522 · 1.522±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -0.96 · -0.96±0.30(Predicted)
물리적 상태: 융합된 고체
색상: 하얀색
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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

규제 정보

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

안전 데이터

wgk: WGK 3
HS 번호: 2934999090
risk_code: 22
hazard_code: Xn
기존화학 물질: 2005-3-3352
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,6-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.