5-(2-브로모에틸)-2,2-디메틸-1,3-디옥산

1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-

HCID 178988CAS 97845-58-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)OCC(CCBr)CO1
InChIKey: QFLUXIUZRCNNHY-UHFFFAOYSA-N
분자식: C8H15BrO2
평균 분자량: 223.11 g/mol
단동위원소 질량: 222.02554182

이름 및 식별자

우선 이름: 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-
IUPAC: 5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane
현지명: 5-(2-브로모에틸)-2,2-디메틸-1,3-디옥산
영어명: 5-(2-Bromoethyl)-2,2-dimethyl-1,3-dioxane
분자식: C8H15BrO2
분자량: 223.11

이름 및 동의어

97845-58-41,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-DTXSID30243281RefChem:218831DTXCID301657725-(2-bromoethyl)-2,2-dimethyl-1,3-dioxaneMFCD06411062SCHEMBL914200QFLUXIUZRCNNHY-UHFFFAOYSA-NAKOS0052591915-bromoethyl-2,2-dimethyl-1,3-dioxanAS-76647

이름 더 보기

5-(2-브로모에틸)-2,2-디메틸-1,3-디옥산5-(2-Brom&œthyl)-2,2-dimethyl-1,3-dioxane(2-BROMOETHYL)-2,2-DIMETHYL-1,3-DIOXANE

DB-014524CS-01537705-(2-bromoethyl)-2,2-dimethyl-1,3-dioxanD950695-(2-Bromoethyl)-2,2-dimethyl-[1,3]dioxaneF6921935-(2-Bromoethyl)-2,2-dimethyl-1,3-dioxane, 95%

데이터베이스 식별자

CAS: 97845-58-4
PubChem CID: 178988
DTXSID: DTXSID30243281
EC Number: 695-493-8
Nikkaji: J2.034.783J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 115

물리화학적 성질

끓는 점: 239.213 · 239.213±15.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.336 g/mL · 1.336 g/mL at 25 °C
굴절률: 20 · n20/D1.482
인화점: 67 ℃ · 67℃
저장 조건: -20 °C · -20°C
물리적 상태: liquid
InChI: 1S/C8H15BrO2/c1-8(2)10-5-7(3-4-9)6-11-8/h7H,3-6H2,1-2H3
InChIKey: QFLUXIUZRCNNHY-UHFFFAOYSA-N
SMILES: CC1(C)OCC(CCBr)CO1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.