3,3-비스(브로모메틸)옥세탄

Oxetane, 3,3-bis(bromomethyl)-

HCID 75464CAS 2402-83-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: BrCC1(CBr)COC1
InChIKey: QOPMHMFIIMJWET-UHFFFAOYSA-N
분자식: C5H8Br2O
평균 분자량: 243.92 g/mol
단동위원소 질량: 241.89419

이름 및 식별자

우선 이름: Oxetane, 3,3-bis(bromomethyl)-
IUPAC: 3,3-bis(bromomethyl)oxetane
현지명: 3,3-비스(브로모메틸)옥세탄
영어명: 3,3-Bis(bromomethyl)oxetane
분자식: C5H8Br2O
분자량: 243.92

이름 및 동의어

3,3-bis(bromomethyl)oxetane2402-83-7Oxetane, 3,3-bis(bromomethyl)-3,3-Di(bromomethyl) oxetaneNSC 281665DTXSID6062383RefChem:857114DTXCID3036991803-436-73,3-bis-bromomethyl-oxetaneMFCD002696948QL52ZX4WM

이름 더 보기

3,3-비스(브로모메틸)옥세탄3,3-Bis-brommethyl-oxetan3,3-Bis(bromomethyl)oxetane - [B6661]2,2-Bis(bromomethyl)-1,3-epoxypropane

NSC-281665bbmoNSC281665UNII-8QL52ZX4WMOxetane,3-bis(bromomethyl)-SCHEMBL6936323,3-bis-(bromomethyl)oxetaneF2147-0740

데이터베이스 식별자

CAS: 2402-83-7
PubChem CID: 75464
DTXSID: DTXSID6062383
UNII: 8QL52ZX4WM
EC Number: 803-436-7
Nikkaji: J421.612A

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 74

실험 및 물리화학적 성질

Kovats Retention Index1235

물리화학적 성질

녹는점: 25 ℃ · 25℃
끓는 점: 125 ℃ · 125℃ (23 Torr)
밀도: 1.83 g/cm3 · 1.83 g/cm3(Temp: 25 °C)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 무색~황백색
안정성: 흡습성
InChI: InChI=1S/C5H8Br2O/c6-1-5(2-7)3-8-4-5/h1-4H2
InChIKey: QOPMHMFIIMJWET-UHFFFAOYSA-N
SMILES: O1CC(CBr)(CBr)C1
EPA: 3 · Oxetane, 3,3-bis(bromomethyl)- (2402-83-7)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 3 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.