2,2-디메틸-2,3-디히드로-1-벤조푸란-7-카르복실산

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

HCID 2795469

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 42327-95-7
표준 SMILES: CC1(C)Cc2cccc(C(=O)O)c2O1
InChIKey: AVVACPBRCFXZMR-UHFFFAOYSA-N
분자식: C11H12O3
평균 분자량: 192.21 g/mol
단동위원소 질량: 192.07864424

이름 및 식별자

우선 이름: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
IUPAC: 2,2-dimethyl-3H-1-benzofuran-7-carboxylic acid
현지명: 2,2-디메틸-2,3-디히드로-1-벤조푸란-7-카르복실산
영어명: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
분자식: C11H12O3
분자량: 192.21

이름 및 동의어

42327-95-72,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acidDTXSID30383691RefChem:441269DTXCID40334715867-686-92,2-dimethyl-2,3-dihydrobenzofuran-7-carboxylic acid2,2-dimethyl-3H-1-benzofuran-7-carboxylic acidMFCD034268262,2-dimethyl-2,3-dihydro-benzofuran-7-carboxylic acidSDCCGMLS-0066067.P0012,2-dimethyl-3H-benzofuran-7-carboxylic acid

이름 더 보기

2,2-디메틸-2,3-디히드로-1-벤조푸란-7-카르복실산7-Benzofurancarboxylic acid, 2,3-dihydro-2,2-dimethyl-2,2-Dimethyl-2,3-dihydro-1-benzofurane-7-carboxylicacid

SCHEMBL783714orb3031207SCHEMBL6197478AVVACPBRCFXZMR-UHFFFAOYSA-NFr12742SBA32795SBB091416AKOS006283231

데이터베이스 식별자

CAS: 42327-95-7
PubChem CID: 2795469
DTXSID: DTXSID30383691
EC Number: 867-686-9

물성

구조 계산 물성

XLogP: 2
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 247

물리화학적 성질

녹는점: 137 °C · 137 °C

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 (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 1 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.