기본 정보
- 표준 SMILES
O=P(O)(Oc1ccccc1)Oc1ccccc1- InChIKey
ASMQGLCHMVWBQR-UHFFFAOYSA-N- 분자식
- C12H11O4P
- 평균 분자량
- 250.19 g/mol
- 단동위원소 질량
- 250.03949583
이름 및 식별자
- 우선 이름
- Phosphoric acid, diphenyl ester
- IUPAC
- diphenyl hydrogen phosphate
- 현지명
- 다이페닐 인산염
- 영어명
- Diphenyl phosphate
- 분자식
- C12H11O4P
- 분자량
- 250.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
53396-64-8、838-85-7- PubChem CID
- 13282
- DTXSID
DTXSID1048207- ChEMBL
CHEMBL3186576- ChEBI
CHEBI:166468- UNII
- PR9H42V2X6
- EC Number
- 212-657-2
- Nikkaji
- J32.756E
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 246
실험 및 물리화학적 성질
Collision Cross Section
153.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1048207];156.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1048207]
164.38 Ų [M+Na]+;152.82 Ų [M-H]-;157.41 Ų [M+H]+
물리화학적 성질
- 녹는점
- 62 · 62-66 °C (lit.)
- 끓는 점
- 280 °C · 280°C
- 밀도
- 0 · 0,76 g/cm3
- 굴절률
- 1.625 · 1.6250
- 인화점
- 4 °C · 4°C
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 1.12 · 1.12±0.50(Predicted)
- 색상
- 하얀색
- 수용성
- 벤젠에 용해됩니다. 물에 불용성.
- BRN
- 1379164 · 1379164
- InChI
- 1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)
- InChIKey
- ASMQGLCHMVWBQR-UHFFFAOYSA-N
- SMILES
- OP(=O)(Oc1ccccc1)Oc2ccccc2
- EPA
- Diphenyl phosphate (838-85-7)
화학적 성질
white crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 42.2% (27 of 64) of reports.
Danger
H314 (54.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (28.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 27 of 64 reports by companies.;There are 5 notifications provided by 37 of 64 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.
유해성 정보
Regulatory Information
Chemical: Phosphoric acid, diphenyl ester
Hazard Traits - Neurotoxicity; Reproductive Toxicity;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient
Phosphoric acid, diphenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, diphenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Phosphoric acid, diphenyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
규제 정보
Regulatory Information
Chemical: Phosphoric acid, diphenyl ester
Hazard Traits - Neurotoxicity; Reproductive Toxicity;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient
Phosphoric acid, diphenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, diphenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Phosphoric acid, diphenyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TC5470000
- HS 번호
- 29190090
- risk_code
- 36/37/38
- safety_code
- 22-24/25
- 기존화학 물질
- KE-28572
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information
Paint and Coating Manufacturing
Phosphoric acid, diphenyl ester: ACTIVE
상·하류 제품 정보
하류 제품
공급사50 곳
추가 설명
정의ChEBI: Diphenyl phosphate is an aryl phosphate and metabolite of the flame retardant Triphenyl Phosphate and also a metabolite of 2-Ethylhexyl diphenyl phosphate.
관련 반응
연결된 노트
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