CAS 42710-39-4 2-Methyl-1,3-dioxoisoindoline-5-carboxylic acid (HCID 883431)

기본 정보

CAS: 42710-39-4
표준 SMILES: CN1C(=O)c2ccc(C(=O)O)cc2C1=O
InChIKey: JNOGAXDCJSTIRH-UHFFFAOYSA-N
분자식: C10H7NO4
평균 분자량: 205.17 g/mol
단동위원소 질량: 205.0375077

이름 및 식별자

우선 이름: 2-Methyl-1,3-dioxoisoindoline-5-carboxylic acid
IUPAC: 2-methyl-1,3-dioxoisoindole-5-carboxylic acid
현지명: 2-METHYL-1,3-DIOXOISOINDOLINE-5-카르복실산
영어명: 2-METHYL-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
분자식: C10H7NO4
분자량: 205.17

이름 및 동의어

2-methyl-1,3-dioxoisoindoline-5-carboxylic acidDTXSID10358266RefChem:1063625DTXCID4030932242710-39-4MFCD009576822-methyl-1,3-dioxoisoindole-5-carboxylic acid2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid2-methyl-1,3-dioxo-5-isoindolinecarboxylic acidCambridge id 6555449SCHEMBL3942594JNOGAXDCJSTIRH-UHFFFAOYSA-N

이름 더 보기

2-METHYL-1,3-DIOXOISOINDOLINE-5-카르복실산1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-methyl-1,3-dioxo-2-methyl-1,3-dioxoisoindoline-5-carboxylic acid(SALTDATA: FREE)

2-methyl-1,3-dioxo-2,3-dihydro-1 h-isoindole-5-carboxylic acidSTK056434AKOS000118191SB64779NCGC01453389-01BS-37792SY167855DB-028110

데이터베이스 식별자

CAS: 42710-39-4
PubChem CID: 883431
DTXSID: DTXSID10358266
EC Number: 836-209-6

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 74.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 338

물리화학적 성질

끓는 점: 422.4 · 422.4±28.0 °C(Predicted)
밀도: 1.518 · 1.518±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.07 · 3.07±0.20(Predicted)

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)

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.