CAS 19932-84-4 6-Chloro-2,3-dihydrobenzoxazol-2-one (HCID 29858)

이름 및 식별자

우선 이름: 6-Chloro-2,3-dihydrobenzoxazol-2-one
IUPAC: 6-chloro-3H-1,3-benzoxazol-2-one
영어명: 6-Chloro-1,3-benzoxazol-2(3H)-one
분자식: C7H4ClNO2
분자량: 169.57

이름 및 동의어

19932-84-46-Chloro-2-benzoxazolinone2(3H)-Benzoxazolone, 6-chloro-6-Chlorobenzoxazolone6-Chloro-2,3-dihydrobenzoxazol-2-oneDTXSID2041545PG1JLE50LENSC-26191DTXCID0021545CDHB cpdRefChem:104373634-962-3

이름 더 보기

hoe54014AC 29726SBB003865NSC 26191HOE-054014AIDS143475NSC 664284

6-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

데이터베이스 식별자

CAS: 19932-84-4
PubChem CID: 29858
DTXSID: DTXSID2041545
ChEMBL: CHEMBL1989517
UNII: PG1JLE50LE
EC Number: 634-962-3
Nikkaji: J41.868D

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 185

실험 및 물리화학적 성질

Collision Cross Section125.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2041545]

물리화학적 성질

녹는점: 192 °C · 192 °C
밀도: 1.3771 · 1.3771 (rough estimate)
굴절률: 1.5557 · 1.5557 (estimate)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 8.34 · 8.34±0.70(Predicted)
물리적 상태: 결정성 분말
색상: 라이트 베이지
InChI: InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey: MATCZHXABVLZIE-UHFFFAOYSA-N
SMILES: O1C2=CC(Cl)=CC=C2NC1=O
EPA: 2 · 2(3H)-Benzoxazolone, 6-chloro- (19932-84-4)

화학적 성질

light beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

안전 데이터

wgk: 3
rtecs: DM5252000
HS 번호: 29349990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-26/36/37/39-22-36/37/39
위험 등급: IRRITANT

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

응용 분야

용도6-Chloro-1,3-Benzoxazol-2(3H)-One is used in preparation of substituted triazoles as potent ABA receptor pan-antagonists.

상·하류 제품 정보

하류 제품

공급사89 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海达立康医药科技有限公司18658316824

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

화합물 노트

불러오는 중…

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

기본 정보