기본 정보
- 표준 SMILES
O=P(O)(O)OP(=O)(O)O- InChIKey
XPPKVPWEQAFLFU-UHFFFAOYSA-N- 분자식
- H4O7P2
- 평균 분자량
- 177.98 g/mol
- 단동위원소 질량
- 177.94322646
이름 및 식별자
- 우선 이름
- Pyrophosphoric acid
- IUPAC
- phosphono dihydrogen phosphate
이름 및 동의어
Diphosphoric acidPyrophosphoric acid2466-09-3phosphono dihydrogen phosphate(phosphonooxy)phosphonic acid4E862E7GRQH4P2O7CHEBI:29888DTXSID4075035RefChem:55955DTXCID4037118219-574-0
이름 더 보기
hydron;phosphonato phosphateDiphosphorsaeurePhosphonooxyphosphonic acidPyrophosphoric Acid (Technical Grade)33943-49-6PPVPyrophosphorsaeureacide diphosphorique
데이터베이스 식별자
- CAS
14000-31-8、2466-09-3、33943-49-6- PubChem CID
- 1023
- DTXSID
DTXSID4075035- ChEMBL
CHEMBL1160571- ChEBI
CHEBI:29888- UNII
- 4E862E7GRQ
- EC Number
- 219-574-0
- Nikkaji
- J43.595C
물성
구조 계산 물성
- XLogP
- -3.2
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 147
실험 및 물리화학적 성질
Melting Point
61
61 °C
Physical Description
Hygroscopic solid; [Merck Index] Light yellow hygroscopic solid; [Acros Organics MSDS]
Solid
Collision Cross Section
145.58 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
144.7 Ų [M+Na]+
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (63.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (31.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 119 reports by companies from 3 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
Regulatory Information
Chemical: Diphosphoric acid
Diphosphoric acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Polyphosphoric acids: Human health tier II assessment
Hazards SummaryCauses somnolence, ataxia, and dyspnea in oral lethal-dose studies of rats; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS]
Hazard Classes and Categories
Acute Tox. 4 (63.9%)；Skin Corr. 1B (100%)；Eye Dam. 1 (31.1%)
Acute toxicity - category 4；Skin corrosion - category 1
독성 정보
Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
규제 정보
Regulatory Information
Chemical: Diphosphoric acid
Diphosphoric acid: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
약리 정보
Tissue LocationsEpidermis；Fibroblasts；Intestine；Neuron；Platelet；Prostate；Skeletal Muscle；Testis
Cellular LocationsCytoplasm；Endoplasmic reticulum；Mitochondria；Nucleus；Peroxisome
Metabolite Pathways
2-Hydroxyglutric Aciduria (D And L Form)；27-Hydroxylase Deficiency；3-Phosphoglycerate dehydrogenase deficiency；4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency；Abacavir Action Pathway；Acylcarnitine (13Z,16Z)-Hexacosa-13,16-dienoylcarnitine；Acylcarnitine (17Z)-Hexacos-17-enoylcarnitine；Acylcarnitine (2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine；Acylcarnitine (7Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-7,9,12,15,18,21-hexaenoylcarnitine；Acylcarnitine 3-Hydroxydecanoylcarnitine；Total 25388 pathways, visit the HMDB page for details
용도 및 제조
UsesPyrophosphates are used with technetium 99m for bone scanning; [REPROTOX]
관련 반응
37건
연결된 노트
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