에틸벤조푸라잔-5-카르복실레이트

Ethyl 2,1,3-benzoxadiazole-5-carboxylate

HCID 2736368

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 36389-07-8
표준 SMILES: CCOC(=O)c1ccc2nonc2c1
InChIKey: ZTZZIZQMAQKOPC-UHFFFAOYSA-N
분자식: C9H8N2O3
평균 분자량: 192.17 g/mol
단동위원소 질량: 192.05349212

이름 및 식별자

우선 이름: Ethyl 2,1,3-benzoxadiazole-5-carboxylate
IUPAC: ethyl 2,1,3-benzoxadiazole-5-carboxylate
현지명: 에틸벤조푸라잔-5-카르복실레이트
영어명: Ethyl benzofurazan-5-carboxylate
분자식: C9H8N2O3
분자량: 192.17

이름 및 동의어

36389-07-8ethyl 2,1,3-benzoxadiazole-5-carboxylateDTXSID30371311RefChem:342129DTXCID50322345Ethyl benzofurazan-5-carboxylateethyl benzo[c][1,2,5]oxadiazole-5-carboxylateMFCD00276586benzo[1,2,5]oxadiazole-5-carboxylic acid ethyl esterMaybridge1_004838SCHEMBL1419962HMS555D20

이름 더 보기

에틸벤조푸라잔-5-카르복실레이트BUTTPARK 33\04-42RARECHEM AL BI 1194Ethylbenzofurazan-5-carboxylate97%Ethyl benzofurazan-5-carboxylate 97%2,1,3-Benzoxadiazole-5-carboxylic acid ethyl ester

ZTZZIZQMAQKOPC-UHFFFAOYSA-NCCG-45606SBB091393AKOS005255245FS-4605DB-265033CS-0313555ethyl benzo[c]1,2,5-oxadiazole-5-carboxylate

데이터베이스 식별자

CAS: 36389-07-8
PubChem CID: 2736368
DTXSID: DTXSID30371311
EC Number: 673-070-9

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 222

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.