Phenylphosphonic Acid (HCID 15295)

개요

Phenylphosphonic acid is a member of benzenes.

이름 및 식별자

우선 이름: Phenylphosphonic Acid
IUPAC: phenylphosphonic acid
현지명: 페닐포스폰산
영어명: Phenylphosphonic acid
분자식: C6H7O3P
분자량: 158.09

이름 및 동의어

Phenylphosphonic acid1571-33-1Benzenephosphonic acidPhosphonic acid, phenyl-Phosphonic acid, P-phenyl-Phenyl-phosphonic acidDTXSID2044399NSC-145BYD76T2868DTXCID0024399RefChem:173104216-388-1

이름 더 보기

페닐포스폰산MPCPPPOABenzolphosphonsαurePHENYLPHOSPHORYL DICHLORIDEBENZOLPHOSPHONSΑUREphenyl-phosphonicaciPhosphonicacid,phenyl-PhenylphosphonicAcid>

MFCD00002136Dihydrogen phenylphosphonateCHEMBL179801NSC145PHENYL PHOSPHONIC ACIDPhenylphosphonicacidC6H7O3PNSC 145

데이터베이스 식별자

CAS: 1571-33-1
PubChem CID: 15295
DTXSID: DTXSID2044399
ChEMBL: CHEMBL179801
ChEBI: CHEBI:191118
UNII: BYD76T2868
EC Number: 216-388-1
Nikkaji: J40.748H

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 145

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

Physical DescriptionLiquid

Collision Cross Section130.1 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2044399]

물리화학적 성질

녹는점: 162 · 162-164 °C (lit.)
끓는 점: 241 · 241-243 °C(lit.)
밀도: 1.412 g/mL · 1.412 g/mL at 25 °C(lit.)
증기압: 0 · 0-0Pa at 20-25℃
굴절률: 20 · n20/D 1.523(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 1 · pK1:1.83;pK2:7.07 (25°C)
색상: 흰색에서 황백색까지
수용성: 40.4 g/100mL · 40.4g/100mL(25℃)
BRN: 2245168 · 2245168
InChI: 1S/C6H7O3P/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey: QLZHNIAADXEJJP-UHFFFAOYSA-N
SMILES: OP(O)(=O)c1ccccc1
LogP: -3.3 · -3.3-0.086 at 20-25℃ and pH4-7
표면장력: 71.2 mN/m · 71.2mN/m at 1g/L and 20℃
EPA: Phosphonic acid, phenyl- (1571-33-1)

화학적 성질

white to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.5% (1 of 201) of reports.

Danger

H302 (44.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 201 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Phosphonic acid, phenyl-

Phosphonic acid, P-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-phenyl- 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)

Status: Active Update: 12-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24347

Hazard Classes and CategoriesAcute Tox. 4 (44.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TD4393000
ridadr: UN 3265 8/PG 2
독성: mouse,LD50,intraperitoneal,110mg/kg (110mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 55, 1950.
HS 번호: 29319090
risk_code: 34-37-41-37/38-22-38
hazard_code: C,Xn
safety_code: 26-39-37/39-45-36/37/39
포장분류: III
위험 등급: 8
기존화학 물질: KE-28414
F 고인화성물질: 10
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: 16,000 lb

Industry UsesStabilizing agent

General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

Phosphonic acid, P-phenyl-: ACTIVE

응용 분야 · 1건

용도Phenylphosphonic acid additive used with Noyori's catalyst for oxidation of sulfides to sulfones. Used as additive of unsaturated polyester PU resin. It also can be added into nylon to improve its polymerization degree. It can be used as extreme pressure agent of lube; used as catalyst of carboxylic acid & alcohol reaction; it can be used as fire retarding treatment of fiber used asganic materials.