Bromodifluoromethyl diethylphosphonate (HCID 144101)

이름 및 식별자

우선 이름: Bromodifluoromethyl diethylphosphonate
IUPAC: 1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane
영어명: Diethyl bromodifluoromethanephosphonate
분자식: C5H10BrF2O3P
분자량: 267.01

이름 및 동의어

65094-22-6Diethyl (bromodifluoromethyl)phosphonateBromodifluoromethyl diethylphosphonateDTXSID40215398RefChem:570343DTXCID40137889671-628-6diethyl bromodifluoromethanephosphonatediethyl bromodifluoromethylphosphonateMFCD000691181-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethaneC5H10BrF2O3P

이름 더 보기

Diethyl P-(bromodifluoromethyl)phosphonateDiethyl bromodifluoromethanephosphonatBROMODIFLUOROMETHANE DIETHYL PHOSPHATEBromodifluoromethyldiethylphosphonate97%Bromodifluoromethyl diethylphosphonate 97%Diethyl (Bromodifluoromethyl)phosphonate >Diethyl [bromo(difluoro)methyl]phosphonate 97%

(bromodifluoromethyl)phosphonic acid diethyl ester1-[[bromo(difluoro)methyl]-ethoxy-phosphoryl]oxyethanediethyl(bromodifluoromethyl)phosphonate(bromo-difluoro-methyl)-phosphonic acid diethyl esterP-(Bromodifluoromethyl)phosphonic Acid Diethyl Ester; (Bromodifluoromethyl)phosphonic Acid Diethyl Ester;Phosphonic acid, (bromodifluoromethyl)-, diethyl esterSCHEMBL263167CHEMBL5181377

데이터베이스 식별자

CAS: 65094-22-6
PubChem CID: 144101
DTXSID: DTXSID40215398
ChEMBL: CHEMBL5181377
EC Number: 671-628-6
Nikkaji: J519.139D

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 178

물리화학적 성질

끓는 점: 40 · 40-41 °C/0.05 mmHg (lit.)
밀도: 1.503 g/mL · 1.503 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.417(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 액체
Specific Gravity: 1.503 · 1.503
색상: 무색의
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
BRN: 1944045 · 1944045
InChI: InChI=1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKey: QRADKVYIJIAENZ-UHFFFAOYSA-N
SMILES: P(=O)(OCC)(OCC)C(F)(F)Br

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 (54.5%): 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 11 reports by companies from 7 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 (54.5%)

안전 데이터

wgk: 3
tsca: No
ridadr: 3278
HS 번호: 29319090
risk_code: 21/22-36/38-38-36
hazard_code: Xi
safety_code: 26-36/37/39-60-37-23
포장분류: III
위험 등급: IRRITANT, IRRITANT-HARMFUL
위험 참고 사항: Irritant
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Efficient difluoroalkylation of aryl boronic acids via palladium catalysis. Novel, moisture-stable bromodifluoromethylated phosphonate, ester, and amide. Efficient coupling with aryl boronic acids via Pd catalysis.