2-히드록시메틸-1,4-벤조디오산

1,4-Benzodioxane-2-methanol

HCID 19314

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3663-82-9
표준 SMILES: OCC1COc2ccccc2O1
InChIKey: GWQOQQVKVOOHTI-UHFFFAOYSA-N
분자식: C9H10O3
평균 분자량: 166.17 g/mol
단동위원소 질량: 166.06299418

이름 및 식별자

우선 이름: 1,4-Benzodioxane-2-methanol
IUPAC: 2,3-dihydro-1,4-benzodioxin-3-ylmethanol
현지명: 2-히드록시메틸-1,4-벤조디오산
영어명: 2-Hydroxymethyl-1,4-benzodioxane
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

1,4-Benzodioxane-2-methanol1,4-Benzodioxin-2-methanol, 2,3-dihydro-RefChem:416359222-921-93663-82-92-Hydroxymethyl-1,4-benzodioxane(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methanol(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-methanol1,4-BENZODIOXAN-2-METHANOL2-Hydroxymethyl-1,4-benzodioxan2,3-Dihydro-1,4-benzodioxin-2-ylmethanol2,3-dihydro-1,4-benzodioxin-3-ylmethanol

이름 더 보기

2-히드록시메틸-1,4-벤조디오산2-하이드록시메틸-1,4-벤조디옥산AKOS 276TIMTEC-BB SBB003893(1,4-Benzodioxan-2-yl)methanol2-O,3-O-(1,2-Phenylene)glycerol2-Hydroxymethyl-1,4-benzodioxan,98%2-Hydroxymethyl-1,4-benzodioxane>

MFCD00006822(2,3-dihydro-1,4-benzodioxin-2-yl)methanolNSC 515022,3-Dihydro-1,4-benzodioxin-2-methanolNSC-1880NSC-36118NSC1880NSC36118

데이터베이스 식별자

CAS: 3663-82-9
PubChem CID: 19314
DTXSID: DTXSID101283793
UNII: SVU3C427GP
EC Number: 222-921-9
Nikkaji: J71.430E

물성

구조 계산 물성

XLogP: 1
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 87 · 87-90 °C(lit.)
끓는 점: 286 °C · 286 °C
밀도: 1.213 · 1.213
굴절률: 1.55 · 1.5500 (estimate)
인화점: 124 ℃ · 124℃
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 13.98 · 13.98±0.10(Predicted)
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange
BRN: 83736 · 83736
InChI: 1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2
InChIKey: GWQOQQVKVOOHTI-UHFFFAOYSA-N
SMILES: OCC1COc2ccccc2O1

화학적 성질

white to light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.

유해성 정보

Regulatory Information1,4-Benzodioxin-2-methanol, 2,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: 3
rtecs: DF3660000
HS 번호: 29329990
safety_code: 24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Hydroxymethyl-1,4-benzodioxane is a substituted benzodioxane with antihepatotoxic activity. 2-Hydroxymethyl-1,4-benzodioxane is used as an intermediate in the preparation of Guanoxan (G839500).