기본 정보
- 표준 SMILES
O=[As]c1ccccc1- InChIKey
BQVCCPGCDUSGOE-UHFFFAOYSA-N- 분자식
- C6H5AsO
- 평균 분자량
- 168.02 g/mol
- 단동위원소 질량
- 167.95563628
개요
Phenylarsine oxide is an arsine oxide derived from phenylarsine. It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an antineoplastic agent and an apoptosis inducer.
이름 및 식별자
- 우선 이름
- Phenylarsine Oxide
- IUPAC
- arsorosobenzene
- 현지명
- 페닐비소 산화물
- 영어명
- Phenylarsine oxide
- 분자식
- C6H5AsO
- 분자량
- 168.02
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
637-03-6- PubChem CID
- 4778
- DTXSID
DTXSID5042249- ChEMBL
CHEMBL477683- ChEBI
CHEBI:75253- UNII
- 0HUR2WY345
- EC Number
- 211-275-3
- Nikkaji
- J6.913B
물성
구조 계산 물성
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 76.6
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 145 · 145-148 °C
- 저장 조건
- Poison room
- 용해도
- 50 mg/mL · DMSO: 50mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 노란색으로
- 생물학적 소스
- synthetic (organic)
- 수용성
- 50 · 디메틸 설폭사이드, 클로로포름, 벤젠, 에테르, 에탄올, 50:50 디메틸 설폭사이드:1 M 염산(3.0 mg/ml) 및 톨루엔에 용해됩니다. 물에 불용성.
- Merck
- 14 · 14,6949
- BRN
- 2935227 · 2935227
- Henry's Law Constant
- 9 · 9.0×10-1 mol/(m3Pa) at 25℃, Bartelt-Hunt et al. (2008)
- 안정성
- 안정적인.
- InChI
- InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
- InChIKey
- BQVCCPGCDUSGOE-UHFFFAOYSA-N
- SMILES
- [As](=O)C1=CC=CC=C1
- EPA
- Oxophenylarsine (637-03-6)
화학적 성질
WHITE TO ALMOST WHITE CRYSTALS OR CRYST. POWDER
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Arsine, oxophenyl-
Restricted substance: Phenylarsine oxide
Hazards Summary
Acute or chronic arsenic poisoning may result from ingestion or inhalation of a sufficient dose; [MSDSonline] Not found in any pesticide products; [NPIRS] Almost nothing is known regarding health effects of organic arsenic compounds in humans. Studies in animals show that some simple organic arsenic compounds are less toxic than inorganic forms. Ingestion of methyl and dimethyl compounds can cause diarrhea and damage to the kidneys. [ATSDR ToxProfiles]
안전 및 보호
Exposure Control and Personal Protection
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CH8100000
- ridadr
- UN 3465 6.1/PG 3
- 독성
- LD50 ipr-mus: 1930 mg/kg JPETAB 74,210,42
- HS 번호
- 29310099
- risk_code
- 23/25-50/53
- hazard_code
- T,N
- safety_code
- 20/21-28-45-60-61
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- KE-28295
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
용도 및 제조
응용 분야
용도Phenylarsine oxide is used as a poultry coccidiostat in veterinary medicine. It is also used in a membrane-permeable protein tyrosine phosphatase inhibitor.
일반 설명Phenylarsine oxide (PhAsO4) is a bifunctional SH group chemical. It is hydrophobic in nature.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: An arsine oxide derived from phenylarsine.
관련 반응
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