1-브로모-2,2-디메톡시프로판

1-Bromo-2,2-dimethoxypropane

HCID 67175

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 126-38-5
표준 SMILES: COC(C)(CBr)OC
InChIKey: SGTITUFGCGGICE-UHFFFAOYSA-N
분자식: C5H11BrO2
평균 분자량: 183.04 g/mol
단동위원소 질량: 181.99424

이름 및 식별자

우선 이름: 1-Bromo-2,2-dimethoxypropane
IUPAC: 1-bromo-2,2-dimethoxypropane
현지명: 1-브로모-2,2-디메톡시프로판
영어명: 1-Bromo-2,2-dimethoxypropane
분자식: C5H11BrO2
분자량: 183.04

이름 및 동의어

1-Bromo-2,2-dimethoxypropane126-38-5Propane, 1-bromo-2,2-dimethoxy-EINECS 204-784-7DTXSID70155036RefChem:75035DTXCID9077527204-784-7SGTITUFGCGGICE-UHFFFAOYSA-N1-Bromo-2,2-dimethoxyprpopaneMFCD000002081-bromo-2,2-dimethoxy-propane

이름 더 보기

1-브로모-2,2-디메톡시프로판1-BROMO-2,2-DIMETHOXYPROPANONE1-Bromo-2,2-dimethoxypropane 97%1-Bromo-2,2-dimethoxypropane,97%1-Bromo-2,2-dimethoxyprpopane czj

bromo-2,2-dimethoxypropane323582F8T3BROMOACETONE DIMETHYL ACETALbromo-2,2dimethoxypropane1-Bromo-22-dimethoxypropaneSCHEMBL10584411-bromo-2,2-dimethoxy propaneBROMOACETONE DIMETHYL KETAL

데이터베이스 식별자

CAS: 126-38-5
PubChem CID: 67175
DTXSID: DTXSID70155036
UNII: 323582F8T3
EC Number: 204-784-7
Nikkaji: J21C

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: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 61

물리화학적 성질

끓는 점: 83 · 83-87 °C/80 mmHg (lit.)
밀도: 1.355 g/mL · 1.355 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.447(lit.)
인화점: 105 °F · 105 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: liquid
BRN: 2036095 · 2036095
InChI: InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
InChIKey: SGTITUFGCGGICE-UHFFFAOYSA-N
SMILES: C(Br)C(OC)(OC)C

화학적 성질

CLEAR LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29110000
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-27-36/37/39
포장분류: III
위험 등급: 3
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

개요1-Bromo-2,2-dimethoxypropane can be analyzed by this reverse phase (RP) HPLC method with simple conditions. The mobile phase contains an acetonitrile (MeCN), water, and phosphoric acid.

용도1-Bromo-2,2-dimethoxypropane was used in the synthesis of:coronenedicarbonyl(η5-cyclopentadienyl)(η′-2-methoxyallyl)iron