2-벤조푸란메탄올,3-메틸-

3-Methyl-2-benzofuranmethanol

HCID 10241108CAS 55581-62-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1c(CO)oc2ccccc12
InChIKey: BPIHBHUOKWCMGZ-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

이름 및 식별자

우선 이름: 3-Methyl-2-benzofuranmethanol
IUPAC: (3-methyl-1-benzofuran-2-yl)methanol
현지명: 2-벤조푸란메탄올,3-메틸-
영어명: 2-Benzofuranmethanol, 3-methyl-
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

55581-62-93-Methyl-2-benzofuranmethanolRefChem:280771(3-methyl-1-benzofuran-2-yl)methanol(3-methylbenzofuran-2-yl)methanol2-(Hydroxymethyl)-3-methylbenzofuranMFCD151461082-(Hydroxymethyl)-3-methylbenzofuran; 3-Methylbenzofuran-2-methanol3-Methylbenzofuran-2-methanolSCHEMBL2256874BPIHBHUOKWCMGZ-UHFFFAOYSA-N2-Benzofuranmethanol, 3-methyl-

이름 더 보기

2-벤조푸란메탄올,3-메틸-2-Benzofuranmethanol, 3-methyl-

DTXSID101307660FCA58162AC6351(3-methyl-benzofuran-2-yl)-methanolAKOS015968027SY045663DB-117341CS-0021445

데이터베이스 식별자

CAS: 55581-62-9
PubChem CID: 10241108
DTXSID: DTXSID101307660
EC Number: 986-820-8
Nikkaji: J2.652.049E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 33.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 84 · 84-85 °C
끓는 점: 298.8 · 298.8±25.0 °C(Predicted)
밀도: 1.188 · 1.188±0.06 g/cm3(Predicted)
산도 계수 (pKa): 14.05 · 14.05±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

응용 분야

용도3-Methylbenzofuran-2-methanol acts as a reagent in the synthesis and evaluation of 2-pyridone derivatives as H1V-1 specific reverse transcriptase inhibitors, preparation of quinoxaline-2-carboxamides as antidiabetics.