포스포노아세트산

Phosphonoacetic Acid

HCID 546CAS 4408-78-0

기본 정보

표준 SMILES
O=C(O)CP(=O)(O)O
InChIKey
XUYJLQHKOGNDPB-UHFFFAOYSA-N
분자식
C2H5O5P
평균 분자량
140.03 g/mol
단동위원소 질량
139.98746025

이름 및 식별자

우선 이름
Phosphonoacetic Acid
IUPAC
2-phosphonoacetic acid
현지명
포스포노아세트산
영어명
PHOSPHONOACETIC ACID
분자식
C2H5O5P
분자량
140.03

이름 및 동의어

Phosphonoacetic acid4408-78-0FosfonetAcetic acid, phosphono-Carboxymethanephosphonic acidPhosphonacetic acidNSC-18205DTXSID2045107CHEBI:15732DTXCID0025107N919E46723NSC18205
이름 더 보기
포스포노아세트산AURORA KA-1453phosphonaceticacidphosphono-aceticaciEthephon Impurity 11
RefChem:862336Phosphonoacetate, Disodium224-558-12-phosphonoacetic acidphosphonoacetatePHOSPHONOACETICACIDFosfonoacetic acidMFCD00004311

데이터베이스 식별자

CAS
4408-78-0
PubChem CID
546
DTXSID
DTXSID2045107
ChEMBL
CHEMBL136061、CHEMBL50300
ChEBI
CHEBI:15732
UNII
N919E46723
EC Number
224-558-1
Nikkaji
J138.397C

물성

구조 계산 물성

XLogP
-2
극성 표면적
94.8 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
8

실험 및 물리화학적 성질

Solubility · 2건

392000

392 mg/mL at 0 °C

Melting Point · 2건

143-146 °C

143 - 146 °C

Vapor Pressure0.00000067 [mmHg]
Physical Description · 2건

White crystalline powder; Odorless and hygroscopic; [Alfa Aesar MSDS]

Solid

Collision Cross Section · 2건

134.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

134.4 Ų [M+Na]+

물리화학적 성질

녹는점
143 · 143-146 °C (lit.)
끓는 점
490.2 · 490.2±47.0 °C(Predicted)
밀도
1.858 · 1.858±0.06 g/cm3(Predicted)
굴절률
1.518 · 1.5180 (estimate)
저장 조건
2 · 2-8°C
용해도
100 mg/mL, · 물: 용해성 100mg/mL, 투명하거나 매우 약간 흐릿함, 무색

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (88.6%);Skin Corr. 1B (11.4%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

1.2 [mg/m3]

13 [mg/m3]

79 [mg/m3]

독성 정보

Adverse EffectsDermatotoxin - Skin burns.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

안전 데이터

wgk
3
rtecs
AJ3278000
ridadr
UN3261
HS 번호
29319019
risk_code
22
hazard_code
Xn

화학 및 산업

약리 정보

ATC Code · 2건

J - Antiinfectives for systemic use;J05 - Antivirals for systemic use;J05A - Direct acting antivirals;J05AD - Phosphonic acid derivatives;J05AD02 - Fosfonet

QJ - Antiinfectives for systemic use;QJ05 - Antivirals for systemic use;QJ05A - Direct acting antivirals;QJ05AD - Phosphonic acid derivatives;QJ05AD02 - Fosfonet

MeSH Pharmacological Classification · 3건

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template.

Tissue LocationsFibroblasts
Cellular LocationsCytoplasm

용도 및 제조

UsesA simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent. [ChemIDplus]
응용 분야 · 1건

용도Phosphonoacetic acid inhibits deoxyribo nucleic acid polymerase, especially in viruses. It is used as an antiviral agent. Further, it is used in the preparation of 1-(dimethylamino)-2,2-bis[(dimethylimmonio)-methyl]ethene diperchlorate by reacting with phosphorus oxychloride.

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海凛南医药科技有限公司15900633975;13262632028
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]

추가 설명

정의ChEBI: A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group.

관련 반응

5건

연결된 노트

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