(에톡시카보닐메틸)디메틸썰포늄 브로마이드

(2-Ethoxy-2-oxoethyl)dimethylsulphonium bromide

HCID 78861CAS 5187-82-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C[S+](C)C.[Br-]
InChIKey: JXFPTJYKYKVENJ-UHFFFAOYSA-M
분자식: C6H13BrO2S
평균 분자량: 229.14 g/mol
단동위원소 질량: 227.98196276

이름 및 식별자

우선 이름: (2-Ethoxy-2-oxoethyl)dimethylsulphonium bromide
IUPAC: (2-ethoxy-2-oxoethyl)-dimethylsulfanium bromide
현지명: (에톡시카보닐메틸)디메틸썰포늄 브로마이드
영어명: (Ethoxycarbonylmethyl)dimethylsulfonium bromide
분자식: C5H11BrO2S
분자량: 215.11

이름 및 동의어

(2-Ethoxy-2-oxoethyl)dimethylsulphonium bromideRefChem:395747225-968-35187-82-6(Ethoxycarbonylmethyl)dimethylsulfonium bromide(2-ethoxy-2-oxoethyl)dimethylsulfonium bromide(2-ethoxy-2-oxoethyl)dimethylsulfanium bromide(Carbethoxymethyl)dimethylsulfonium bromideAI3-61471MFCD00830557Sulfonium, bromide, ethyl ester(2-ethoxy-2-oxoethyl)-dimethylsulfanium;bromide

이름 더 보기

(에톡시카보닐메틸)디메틸썰포늄브로마이드(에톡시카르보닐메틸)디메틸술포늄브로마이드RMA-299(2-ethoxy-2-oxoethyl)-dimethylsulfaniumcarbethoxymethyl-dimethylsulfoniumbromide(carbethoxymethyl)dimethyl-sulfoniubromide(carboethoxymethyl)dimethylsulfonium bromideDimethyl(2-oxo-2-ethoxyethyl)sulfonium·bromide(2-Oxo-2-ethoxyethyl)dimethylsulfonium·bromide(2-ethoxy-2-oxoethyl)-dimethylsulfanium bromide

Carboethoxymethyl Dimethylsulphonium Bromide(ethoxycarbonylmethyl)dimethyl sulfonium bromide(2-Ethoxy-2-oxoethyl)(dimethyl)sulphonium bromideCarbethoxymethyl-dimethylsulfonium bromideEINECS 225-968-3NSC 122299Sulfonium, (carbethoxymethyl)dimethyl-, bromideSulfonium, (2-ethoxy-2-oxoethyl)dimethyl-, bromide

데이터베이스 식별자

CAS: 5187-82-6
PubChem CID: 78861
DTXSID: DTXSID50966203
EC Number: 225-968-3

물성

구조 계산 물성

극성 표면적: 27.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 10
형식 전하: 0
복잡도: 91.1

물리화학적 성질

녹는점: 90 · 90-94 °C (lit.)
저장 조건: 2 · 2-8°C, sealed storage, away from moisture
물리적 상태: 결정성 분말
색상: 하얀색
BRN: 4161472 · 4161472
InChI: 1S/C6H13O2S.BrH/c1-4-8-6(7)5-9(2)3;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKey: JXFPTJYKYKVENJ-UHFFFAOYSA-M
SMILES: Br.CCOC(=O)C[S](C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: WR7600000
ridadr: UN 3448 6.1/PG 2
HS 번호: 2930909899
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야

용도(Ethoxycarbonylmethyl)dimethylsulfonium bromide was used in synthesis of α-sulfanyl-β-amino acid derivatives by using nanocrystalline magnesium oxide. It was used during cyclopropanation of (-)-(S)-2-(p-tolylsulfinyl)cyclopent-2-enone.