기본 정보
- 표준 SMILES
ClP(c1ccccc1)c1ccccc1- InChIKey
XGRJZXREYAXTGV-UHFFFAOYSA-N- 분자식
- C12H10ClP
- 평균 분자량
- 220.63 g/mol
- 단동위원소 질량
- 220.02086463
이름 및 식별자
- 우선 이름
- Chlorodiphenylphosphine
- IUPAC
- chloro(diphenyl)phosphane
- 현지명
- 디페닐포스피너스클로라이드
- 영어명
- Chlorodiphenylphosphine
- 분자식
- C12H10ClP
- 분자량
- 220.63
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1079-66-9- PubChem CID
- 66180
- DTXSID
DTXSID7038789- UNII
- WO975PJK1Y
- EC Number
- 214-093-2
- Nikkaji
- J24.880K
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 142
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 14 · 14-16°C
- 끓는 점
- 320 °C · 320 °C(lit.)
- 밀도
- 1.229 g/mL · 1.229 g/mL at 25 °C(lit.)
- 증기 밀도
- 7.8 · 7.8 (vs air)
- 증기압
- 1.3 hPa · 1.3 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.636(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 알코올과 섞임. 암모니아와 약간 섞임.
- 물리적 상태
- 액체
- 색상
- 무색~황색
- Specific Gravity
- 1.229 · 1.229
- 수용성
- 물 에 용해
- BRN
- 512032 · 512032
- InChI
- 1S/C12H10ClP/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
- InChIKey
- XGRJZXREYAXTGV-UHFFFAOYSA-N
- SMILES
- ClP(c1ccccc1)c2ccccc2
- LogP
- 5.33 · 5.330 (est)
- NIST
- Chlorodiphenylphosphine(1079-66-9)
- EPA
- Phosphinous chloride, diphenyl- (1079-66-9)
화학적 성질
Colorless to light yellow liqui
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 212) of reports.
Danger
H290 (67%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 212 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Phosphinous chloride, diphenyl-
Status: Active Update: 07-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24379
Chlorodiphenylphosphine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Reacts violently with water; Causes burns and lachrymation; [Merck Index] Reacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Triphenylphosphine oxide.
독성 정보
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- 독성
- LD50 orally in Rabbit: 316 mg/kg
- HS 번호
- 29310095
- risk_code
- 14-34-29-36
- hazard_code
- C
- safety_code
- 26-36/37/39-45-8-30-25-27
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- 2002-3-2048
- F 고인화성물질
- 1-9-19
- 자연 발화 온도
- 320 °C
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Met. Corr. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
응용 분야
용도Chlorodiphenylphosphine is used to introduce the diphenylphosphinyl moiety by aryl ortho-lithiation. It is also used as an intermediate to make antioxidants, flame retardants, stabilizers, catalysts, photoinitiators, and optical brighteners. Used as a halogenation reagent for the conversion of alcohols into halides, in the preparation of solid-phase reagent for the conversion of alcohols to alkyl halides.
제조 방법
생산 방법The specific synthesis steps of Chlorodiphenylphosphine are as follows: In a sealed NMR tube filled with argon,Dissolve Ph2P (O) H (0.05 mmol) in 0.5 mL of tetrahydrofuran,Add acetyl chloride (the amount of acetyl chloride added is 1.2 times the equivalent of Ph2P (O) H),The mixture was reacted at 100 ° C for 12 hours with a yield of 99%.
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