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페닐포스폰산 디클로라이드

Phenylphosphonic dichloride

HCID 69990
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
824-72-6
표준 SMILES
O=P(Cl)(Cl)c1ccccc1
InChIKey
IBDMRHDXAQZJAP-UHFFFAOYSA-N
분자식
C6H5Cl2OP
평균 분자량
194.98 g/mol
단동위원소 질량
193.9455072

개요

Benzene phosphorus oxydichloride appears as a colorless reactive liquid. Severely irritates skin, eyes, and mucous membranes.

이름 및 식별자

우선 이름
Phenylphosphonic dichloride
IUPAC
dichlorophosphorylbenzene
현지명
페닐포스폰산 디클로라이드
영어명
Phenylphosphonic dichloride
분자식
C6H5Cl2OP
분자량
194.98

이름 및 동의어

Phenylphosphonic dichloride824-72-6Phosphonic dichloride, phenyl-Phenyldichlorophosphine oxideBenzenephosphonic dichlorideDichlorophenylphosphine oxidePhenylphosphonyl dichlorideBenzenephosphonyl chloridePhenylphosphonic acid dichloridePhosphonic dichloride, P-phenyl-Phenylphosphonodichloridic acidBenzenephosphonodichloridic acid
이름 더 보기
페닐포스폰산디클로라이드다이클로로페닐포스파인 산화물BPODP,P-DICHLOROPHENYLPHOSPHINE OXIDEDichlorophosphorylbenzenephenylphosphonicAURORA KA-1395phosphonic dichL
DTXSID5044732Phenylphosphoryl DichlorideNSC 66477EINECS 212-534-3NSC-66477AI3-15064DTXCID3024732J162866K95

데이터베이스 식별자

CAS
824-72-6
PubChem CID
69990
DTXSID
DTXSID5044732
ChEMBL
CHEMBL3187787
UNII
J162866K95
EC Number
212-534-3
Nikkaji
J24.863K

물성

구조 계산 물성

XLogP
3.1
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
10
형식 전하
0
복잡도
148

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Organophosphates, Other
SpringerMaterials PropertiesSchoenflies notation
Physical Description · 2건

Benzene phosphorus oxydichloride appears as a colorless reactive liquid. Severely irritates skin, eyes, and mucous membranes.

Colorless to yellow liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
3 °C · 3 °C (lit.)
끓는 점
258 °C · 258 °C (lit.)
밀도
1.375 g/mL · 1.375 g/mL at 25 °C (lit.)
증기압
2.36 Pa · 2.36Pa at 25℃
굴절률
20 · n 20/D 1.559 (lit.)
인화점
204 °C · 204 °C
저장 조건
30 °C · Store below +30°C.
용해도
벤젠, 클로로포름, 디메틸설폭사이드 및 사염화탄소와 혼합 가능합니다.
물리적 상태
liquid
색상
투명한 노란색에서 갈색까지
Specific Gravity
1.394 · 1.394 (25℃)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.4% (1 of 268) of reports.

Danger

H290 (44%): May be corrosive to metals [Warning Corrosive to Metals]

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.

유해성 정보

Regulatory Information · 3건

Chemical: Phosphonic dichloride, phenyl-

REACH registered substance: Phenylphosphonic dichloride (EC: 212-534-3)

Dichlorophenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards SummaryReacts violently with water; Causes burns; Toxic by ingestion; [Alfa Aesar MSDS]
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
Reactivity AlertsWater-Reactive
Reactivity Profile · 1건

Organophosphates are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides. Strong halogenating agents force the addition of one or more halogen atoms to the compound with which they are reacting.

화학 및 산업

용도 및 제조

General Manufacturing InformationPhosphonic dichloride, P-phenyl-: ACTIVE

응용 분야

용도Phenylphosphonic 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.

상·하류 제품 정보

상류 원료

페닐테트라염소인Phenylphosphoric acid페닐포스폰산디메틸디페닐아연Diethyl phenylphosphonate벤젠포스포너스디클로라이드

하류 제품

4-Biphenylsulfonyl chlorideDimethyl 4-chloropyridine-2,6-dicarboxylate메틸6-메톡시포름아미도-4-클로로피리딘-2-일카르바메이트2,6-Diamino-4-chloropyridine4-클로로피리딘-2,6-디카르보하이드라지드

관련 반응

100건
반응 기록 만들기
HRID 37468 반응식
HRID 37468반응물로uspto-grants-1995_05
HRID 37476 반응식
HRID 37476반응물로uspto-grants-1995_05
HRID 153022 반응식
HRID 153022반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 161450 반응식
HRID 161450반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 163066 반응식
HRID 163066반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 166600 반응식
HRID 166600반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 201174 반응식
HRID 201174반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 206806 반응식
HRID 206806반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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수용성
물과 반응
BRN
1072240 · 1072240
Dielectric constant
26 · 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
1.089 at · 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

Air and Water ReactionsDenser than water and will decompose vigorously in water. Hydrogen chloride fumes and phosphoric acid are produced upon decomposition.
Hazard Classes and CategoriesMet. Corr. 1 (44%)

안전 및 보호

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First AidExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
독성
LD50 orally in Rabbit: 681 mg/kg
HS 번호
2931900090
risk_code
14-34-37
hazard_code
C
safety_code
26-45-8-36/37/39
포장분류
II
위험 등급
8
기존화학 물질
98-3-1012
Hazard Classifications
Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스
8A - Combustible corrosive hazardous materials
4-Chloro-pyridine-2,6-dicarboxylic acid
1,3-Dichloroisoquinoline
페닐포스폰산
3 클로로프탈산 무수물
3-Methyl-1-phenyl-2-phospholene 1-oxide
디아미노포스포릴벤젠