CAS 1779-48-2 Phenylphosphinic acid (HCID 72903)

이름 및 식별자

우선 이름: Phenylphosphinic acid
IUPAC: phenylphosphonous acid
영어명: Phenylphosphinic acid
분자식: C6H7O2P
분자량: 142.09

이름 및 동의어

DTXSID0027436K4200UO6KYDTXCID601474036NSC-2670RefChem:173103217-217-31779-48-2Phenylphosphinic acidHydroxyphenylphosphine oxideBenzenephosphonous acid (VAN)EINECS 217-217-3BRN 2802244

이름 더 보기

phosphenous acidCoproporphyrin I-15N4NSC2670phenylphospho acidphenyl-phosphinicaciBenzolphosphonigsαurePHENYLPHOSPHONOUS ACIDPhosphinicacid,phenyl-BENZENEPHOSPHINIC ACID

AI3-15040UNII-K4200UO6KYSCHEMBL641890Tox21_200455AKOS006222993NCGC00258009-01CAS-1779-48-24-16-00-01033 (Beilstein Handbook Reference)

데이터베이스 식별자

CAS: 1779-48-2
PubChem CID: 72903
DTXSID: DTXSID0027436
UNII: K4200UO6KY
EC Number: 217-217-3
Nikkaji: J1.436.458G

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 79

물리화학적 성질

녹는점: 83 · 83-85 °C(lit.)
끓는 점: 180 °C · 180 °C
밀도: 1.376 · 1.376
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 물(약간 용해됨, 가열)
산도 계수 (pKa): 1 · pK1:2.1 (17°C)
물리적 상태: 결정질 고체
색상: 하얀색
수용성: 7.7 g/100mL · 7.7g/100mL(25℃)
BRN: 2802244 · 2802244
InChI: InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,9H,(H,7,8)
InChIKey: MLCHBQKMVKNBOV-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1)(O)=O
NIST: Phosphinic acid, phenyl-(1779-48-2)
EPA: Phosphinic acid, phenyl- (1779-48-2)

화학적 성질

white crystals or crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 1.3% (2 of 151) of reports.

Danger

H302 (98.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (70.2%): 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 151 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 2 of 151 reports by companies.；There are 5 notifications provided by 149 of 151 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

Hazard Classes and CategoriesAcute Tox. 4 (98.7%)；Skin Corr. 1C (98%)；Eye Dam. 1 (70.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: SZ5462500
ridadr: UN 3261 8/PG 3
HS 번호: 29309099
risk_code: 22-34-41-37/38
hazard_code: C,Xn
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도Antioxidant, intermediate for metallic-salt formation, accelerator for organic peroxide catalysts.

일반 설명Phenylphosphinic acid is also known as phenylphosphonous acid. Kinetics of oxidation of phenylphosphinic acid by metal and non metal oxidants was investigated in a study.2