1H-이소인돌-5-카르복실산,2,3-디히드로-1-옥소-

1-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

HCID 12850266

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23386-40-5
표준 SMILES: O=C(O)c1ccc2c(c1)CNC2=O
InChIKey: OLKKGIPWCIURHH-UHFFFAOYSA-N
분자식: C9H7NO3
평균 분자량: 177.16 g/mol
단동위원소 질량: 177.04259309

이름 및 식별자

우선 이름: 1-Oxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
IUPAC: 1-oxo-2,3-dihydroisoindole-5-carboxylic acid
현지명: 1H-이소인돌-5-카르복실산,2,3-디히드로-1-옥소-
영어명: 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo-
분자식: C9H7NO3
분자량: 177.16

이름 및 동의어

23386-40-51-oxo-2,3-dihydro-1H-isoindole-5-carboxylic acidDTXSID00511444RefChem:232839DTXCID10462251831-230-71-Oxoisoindoline-5-carboxylic acid1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1-oxo-1-oxo-2,3-dihydroisoindole-5-carboxylic acidMFCD13177824SCHEMBL14332678SY033907

이름 더 보기

1H-이소인돌-5-카르복실산,2,3-디히드로-1-옥소-2,3-dihydro-1-oxo-1H-Isoindole-5-carboxylic acid

Y10066Z1255432661A8782591-Oxoisoindoline-5-carboxylica1-Oxoisoindoline-5-carboxylicacidOLKKGIPWCIURHH-UHFFFAOYSA-NAKOS015899115SB35809

데이터베이스 식별자

CAS: 23386-40-5
PubChem CID: 12850266
DTXSID: DTXSID00511444
EC Number: 831-230-7

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 66.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 251

물리화학적 성질

끓는 점: 558.7 · 558.7±50.0 °C(Predicted)
밀도: 1.433 · 1.433±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.79 · 3.79±0.20(Predicted)
물리적 상태: 가루
색상: 베이지색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): 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 (100%): 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 2 reports by companies from 2 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.