(2,3-Dihydro-1-benzofuran-5-yl)methanol

HCID 2776158CAS 103262-35-7

기본 정보

표준 SMILES: OCc1ccc2c(c1)CCO2
InChIKey: XQDNBMXUZGAWSZ-UHFFFAOYSA-N
분자식: C9H10O2
평균 분자량: 150.17 g/mol
단동위원소 질량: 150.06807956

이름 및 식별자

우선 이름: (2,3-Dihydro-1-benzofuran-5-yl)methanol
IUPAC: 2,3-dihydro-1-benzofuran-5-ylmethanol
영어명: 2,3-DIHYDRO-1-BENZOFURAN-5-YLMETHANOL
분자식: C9H10O2
분자량: 150.17

이름 및 동의어

(2,3-Dihydro-1-benzofuran-5-yl)methanolRefChem:394498818-951-2103262-35-7(2,3-Dihydrobenzofuran-5-yl)methanol2,3-dihydro-1-benzofuran-5-ylmethanolMFCD021697555-Hydroxymethyl-2,3-dihydrobenzo[b]furan2,3-Dihydro-5-(hydroxymethyl)benzo[b]furan2,3-dihydrobenzo[b]furan-5-ylmethan-1-ol(2,3-Dihydro-benzofuran5-yl)-methanolSCHEMBL317341

이름 더 보기

BUTTPARK 121\06-58RARECHEM AL BD 03275-Benzofuranmethanol, 2,3-dihydro-(2,3-Dihydro-benzofuran-5-yl)-methanol2,3-Dihydrobenzo[b]furan-5-yl Methanol(2,3-Dihydro-1-benzofuran-5-yl)methanol, 2,3-Dihydro-5-(hydroxymethyl)-1-benzofuran

SCHEMBL30922323DTXSID90379853XQDNBMXUZGAWSZ-UHFFFAOYSA-N2,3-dihydrobenzofuran-5-ylmethanolCS-M0931DEA26235SBB054831AKOS009157365

데이터베이스 식별자

CAS: 103262-35-7
PubChem CID: 2776158
DTXSID: DTXSID90379853
EC Number: 818-951-2

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

끓는 점: 152 · 152-155 °C(Press: 8 Torr)
밀도: 1.217 · 1.217±0.06 g/cm3(Predicted)
굴절률: 1.5776 · 1.5776 (589.3 nm 18℃)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 14.43 · 14.43±0.10(Predicted)
InChI: 1S/C9H10O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5,10H,3-4,6H2
InChIKey: XQDNBMXUZGAWSZ-UHFFFAOYSA-N
SMILES: OCc1ccc2OCCc2c1

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.