2-(2-Bromoethyl)-1,3-dioxolane (HCID 87776)

이름 및 식별자

우선 이름: 2-(2-Bromoethyl)-1,3-dioxolane
IUPAC: 2-(2-bromoethyl)-1,3-dioxolane
현지명: 2-브로모에틸-2-에틸-1,3-디옥소란
영어명: 2-(2-Bromoethyl)-1,3-dioxolane
분자식: C5H9BrO2
분자량: 181.03

이름 및 동의어

2-(2-Bromoethyl)-1,3-dioxolane3-Bromopropionaldehyde ethylene acetal1,3-Dioxolane, 2-(2-bromoethyl)-4SY9FQ278PEINECS 242-551-13-BROMOPROPANAL ETHYLENE ACETALDTXSID40172058EC 242-551-11,3-DIOXOLAN-2-YLETHYL BROMIDE3,3-(ETHYLENEDIOXY)PROPYL BROMIDE1-BROMO-3,3-(ETHYLENEDIOXY)PROPANE.BETA.-BROMOPROPIONALDEHYDE ETHYLENE ACETAL

이름 더 보기

2-(2-브로모에틸)-1,3-다이옥솔레인2-브로모에틸-2-에틸-1,3-디옥소란2-(2-브로모에틸)-1,3-디옥솔란Bromoethyldioxolane2KG)-1,3-dioxoL2-(2-BromoethyL2-(2-Bromoethyl)-1,32-bromo-2-(2-ethyl)dioxolane2-(2-Bromoethyl)-1,3-dioxola2-(2-Bromoerthyl)-1,3-dioxolane

2-[2-Bromoethyl]-1,3-dioxolaneRefChem:84012DTXCID3094549BETA-BROMOPROPIONALDEHYDE ETHYLENE ACETAL242-551-1GGZQLTVZPOGLCC-UHFFFAOYSA-N18742-02-41,1-(Ethylenedioxy)-3-bromopropane

데이터베이스 식별자

CAS: 18742-02-4
PubChem CID: 87776
DTXSID: DTXSID40172058
UNII: 4SY9FQ278P
EC Number: 242-551-1
Nikkaji: J208.097D

물성

구조 계산 물성

XLogP: 1
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 61.4

물리화학적 성질

끓는 점: 68 · 68-70 °C8 mm Hg(lit.)
밀도: 1.542 g/mL · 1.542 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.479(lit.)
인화점: 149 °F · 149 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태: 투명한 액체
Specific Gravity: 1.541 · 1.541.542
색상: 갈색-노란색
수용성: 섞일 수 없음
BRN: 103516 · 103516
InChI: 1S/C5H9BrO2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2
InChIKey: GGZQLTVZPOGLCC-UHFFFAOYSA-N
SMILES: BrCCC1OCCO1
NIST: 2 · 2-(2-Bromoethyl)-1,3-dioxolane(18742-02-4)

화학적 성질

Clear colorless to yellow or brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (76.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16521

1,3-Dioxolane, 2-(2-bromoethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (76.4%)

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
HS 번호: 29329990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
포장분류: Ⅲ
위험 등급: 6.1
F 고인화성물질: 8-9
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing Information1,3-Dioxolane, 2-(2-bromoethyl)-: ACTIVE

응용 분야 · 2건

용도2-(2-Bromoethyl)-1,3-dioxolane is used as a pharmaceutical intermediate, dioxolanes, acetals, ketals, building blocks, chemical synthesis, organic building blocks and oxygen compounds. 1,1-(Ethylenedioxy)-3-bromopropane is used in the synthesis of EGFR inhibitors. Also used in the synthesis of orally active agents of cancer and cell proliferation with quinoline substructures. It is also used as flavouring agent.

일반 설명Copper-catalyzed borylation of 2-(2-bromoethyl)-1,3-dioxolane with bis(pinacolato)diboron followed by treatment with potassium bifluoride affords the key organotrifluoroborate reagent.