페닐포스폰산 디클로라이드

페닐포스폰산디클로라이드 · 다이클로로페닐포스파인 산화물 · BPOD · P,P-DICHLOROPHENYLPHOSPHINE OXIDE · DICHLOROPHENYLPHOSPHINE OXIDE · Dichlorophosphorylbenzene · PHENYLPHOSPHONYL DICHLORIDE · phenylphosphonic

https://huagongshe.com/ko/chemical/69990

식별자 및 물리적 특성

CAS No.	824-72-6
분자식	C6H5Cl2OP
평균 분자량	194.98 g/mol
단동위원소 질량	193.9455072 g/mol
SMILES	O=P(Cl)(Cl)c1ccccc1
InChIKey	IBDMRHDXAQZJAP-UHFFFAOYSA-N
PubChem CID	69990
ChEMBL	CHEMBL3187787
EC No.	212-534-3
DTXSID	DTXSID5044732
현지명	페닐포스폰산 디클로라이드

화학 및 물리적 성질

XLogP	3.1
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	148
Physical Description	Benzene phosphorus oxydichloride appears as a colorless reactive liquid. Severely irritates skin, eyes, and mucous membranes.Colorless to yellow liquid[Alfa Aesar MSDS]
녹는점	3 °C(lit.)
끓는 점	258 °C(lit.)
밀도	1.375 g/mL at 25 °C(lit.)
증기압	2.36Pa at 25℃
굴절률	n20/D 1.559(lit.)
인화점	>230 °F
저장 조건	Store below +30°C.
용해도	벤젠, 클로로포름, 디메틸설폭사이드 및 사염화탄소와 혼합 가능합니다.
물리적 상태	액체
색상	투명한 노란색에서 갈색까지
비중	1.394 (25℃)
용해도	물과 반응
BRN	1072240
유전율	26.0
InChI	1S/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKey	IBDMRHDXAQZJAP-UHFFFAOYSA-N
SMILES	ClP(Cl)(=O)c1ccccc1
LogP(분배 계수)	1.089 at 20℃
NIST	Phosphonic dichloride, phenyl-(824-72-6)
EPA	Phosphonic dichloride, P-phenyl- (824-72-6)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 0.4% (1 of 268) of reports.DangerH290 (44%): May be corrosive to metals [Warning Corrosive to Metals]H302 (55.2%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (98.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (41%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (48.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 268 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 268 reports by companies.There are 19 notifications provided by 267 of 268 reports by companies with hazard statement code(s).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.
규제 정보	Chemical: Phosphonic dichloride, phenyl-Status: Active Update: 18-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/23307Dichlorophenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard
운송 라벨(DOT)	Corrosive
화재 위험	Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. For electric vehicles or equipment, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. (ERG, 2024)

용도

Phenylphosphonic dichloride is used in the preparation of 2-phenyl-[1,3,2]dioxaphosphepane-2-oxide. Further, it acts as an effective reagent for the chlorinative dehydration of some heterocycles.