3-브로모메틸-3-옥세탄메탄올

[3-(Bromomethyl)oxetan-3-yl]methanol

HCID 529264CAS 22633-44-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCC1(CBr)COC1
InChIKey: SESXZSLSTRITGO-UHFFFAOYSA-N
분자식: C5H9BrO2
평균 분자량: 181.03 g/mol
단동위원소 질량: 179.97859163

이름 및 식별자

우선 이름: [3-(Bromomethyl)oxetan-3-yl]methanol
IUPAC: [3-(bromomethyl)oxetan-3-yl]methanol
현지명: 3-브로모메틸-3-옥세탄메탄올
영어명: 3-Bromomethyl-3-oxetanemethanol
분자식: C5H9BrO2
분자량: 181.03

이름 및 동의어

(3-(bromomethyl)oxetan-3-yl)methanol[3-(bromomethyl)oxetan-3-yl]methanolRefChem:399632806-632-022633-44-93-Bromomethyl-3-oxetanemethanolMFCD098005983-BROMOMETHYL-3-HYDROXYMETHYLOXETANE3-(Bromomethyl)-3-(hydroxymethyl)oxetane3-(Bromomethyl)-3-oxetanemethanol3-Oxetanemethanol,3-(bromomethyl)-Oxetane, 3-bromomethyl-3-hydroxymethyl

이름 더 보기

3-브로모메틸-3-옥세탄메탄올3-BroMoMethyl-3-(hydroxyM...3-Bromomethyl-3-oxetanemethanol,95%3-bromomethyl-3-hydroxymethyl-1-oxacyclobutane(3-(Bromomethyl)oxetan-3-yl)methanol - [B5888]2-(Bromomethyl)-2-(hydroxymethyl)-1,3-epoxypropane

SCHEMBL231498[3-(Bromomethyl)3-oxetanyl]methanol3-bromomethyl-3-hydroxymethyl oxetane3-bromomethyl-3-hydroxymethyl-oxetane3-OXETANEMETHANOL, 3-(BROMOMETHYL)-3-(Bromometh[3-(Bromomethyl)-3-oxetanyl]methanol3-Bromomethyl-3-(hydroxymethyl)oxetane

데이터베이스 식별자

CAS: 22633-44-9
PubChem CID: 529264
DTXSID: DTXSID50945295
EC Number: 806-632-0
Nikkaji: J2.143.691G

물성

구조 계산 물성

XLogP: 0
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 80.5

물리화학적 성질

끓는 점: 242 ℃ · 242℃
밀도: 1.598 · 1.598
굴절률: 1.513 to · 1.5130 to 1.5170
인화점: 100 ° · 100°(212°F)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 14.58 · 14.58±0.10(Predicted)
색상: 무색~연황색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.