Diethyl (3-bromopropyl)phosphonate

HCID 283500CAS 1186-10-3

기본 정보

표준 SMILES: CCOP(=O)(CCCBr)OCC
InChIKey: PEIKTSJIUKYDPC-UHFFFAOYSA-N
분자식: C7H16BrO3P
평균 분자량: 259.08 g/mol
단동위원소 질량: 258.00204

이름 및 식별자

우선 이름: Diethyl (3-bromopropyl)phosphonate
IUPAC: 1-bromo-3-diethoxyphosphorylpropane
영어명: Diethyl(3-bromopropyl)phosphonate
분자식: C7H16BrO3P
분자량: 259.08

이름 및 동의어

diethyl (3-bromopropyl)phosphonateRefChem:587016805-814-71186-10-3Diethyl 3-BromopropylphosphonateDiethyl(3-bromopropyl)phosphonate1-bromo-3-diethoxyphosphorylpropaneMFCD00800966(3-Bromopropyl)phosphonic acid diethyl esterNSC 1383451-bromo-3-diethoxyphosphoryl-propaneC7H16BrO3P

이름 더 보기

phosphonateDiethyl (3-bromoprop-1-yl)phosphonateDiethyl (3-bromopropyl)DIETHOXY 3-BROMOPROPYLPHOSPHINEDiethyl(3-Bromopropyl)phosphonate>

diethyl 3-bromopropanphosphonateCS-W012527AS-10528EN300-97141AMY42222Phosphonic acid, (3-bromopropyl)-, diethyl esterNSC138345A893087

데이터베이스 식별자

CAS: 1186-10-3
PubChem CID: 283500
DTXSID: DTXSID50300688
ChEBI: CHEBI:188792
EC Number: 805-814-7
Nikkaji: J1.238.276F

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 12
형식 전하: 0
복잡도: 142

물리화학적 성질

끓는 점: 94 · 94-95 °C/2 mmHg (lit.)
밀도: 1.348 g/mL · 1.348 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4620(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 아세톤, 클로로포름, 에탄올, 에틸아세테이트, 메탄올에 용해됨
물리적 상태: 무색 액체
색상: 무색~연황색
InChI: InChI=1S/C7H16BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-7H2,1-2H3
InChIKey: PEIKTSJIUKYDPC-UHFFFAOYSA-N
SMILES: P(CCCBr)(=O)(OCC)OCC

화학적 성질

Colourless Liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)

안전 데이터

wgk: 3
HS 번호: 29319000
risk_code: 36/37/38
safety_code: 26-36/37/39
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Reactant for synthesis of: Hybrid assembly composed of titanium dioxide nanoparticles and thin multi-walled carbon nanotubesOrganosoluble zirconium phosphonate nanocomposites for asymmetric hydrogenationCyclic hydroxamic acids via alkylation followed by intramolecular cyclizationpH-responsive cyclopolymerReactant for: Homogenization of zirconium hydroxide phosphonate supported ruthenium catalystReactions with sodium imidazolide