기본 정보
- 표준 SMILES
CCCCP(=O)(O)O- InChIKey
UOKRBSXOBUKDGE-UHFFFAOYSA-N- 분자식
- C4.H11.O3.P
- 평균 분자량
- 138.1 g/mol
- 단동위원소 질량
- 138.04458084
개요
Butylphosphonic acid is a member of the class of phosphonic acids that is phosphonic acid having a butyl group attached to the phosphorous atom.
이름 및 식별자
- 우선 이름
- Butylphosphonic Acid
- IUPAC
- butylphosphonic acid
- 현지명
- 1-부탄포스폰산
- 영어명
- 1-Butanephosphonic acid
- 분자식
- C4H11O3P
- 분자량
- 138.1
이름 및 동의어
Butylphosphonic acid3321-64-0n-Butylphosphonic acidPhosphonic acid, butyl-HKC30FCB7PNSC-38367CHEBI:41384DTXSID30186861RefChem:571868DTXCID70109352679-394-71-Butanephosphonic acid
이름 더 보기
1-부탄포스폰산n-Butanephosphonic acidPhosphonic acid, P-butyl-1-Butylphosphonic acid, 98+%
BUTYLPHOSPHONATEMFCD000122951-BUTYLPHOSPHONIC ACIDDisodium butylphosphonateButylphosphonicacidNSC 38367Butylphosphonic acid #n-butyl phosphonic acid
데이터베이스 식별자
- CAS
3321-64-0- PubChem CID
- 76839
- DTXSID
DTXSID30186861- ChEBI
CHEBI:41384- UNII
- HKC30FCB7P
- EC Number
- 679-394-7
- Nikkaji
- J502.657A
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 95.5
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties31P nuclear magnetic resonance spectrum
물리화학적 성질
- 녹는점
- 105 · 105-107°C
- 끓는 점
- 274.8 · 274.8±23.0 °C(Predicted)
- 밀도
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- 저장 조건
- Store at room temperature
- 수용성
- 물에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 2.66 · 2.66±0.10(Predicted)
- 색상
- 흰색에서 거의 흰색
- BRN
- 1749026 · 1749026
- InChI
- InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)
- InChIKey
- UOKRBSXOBUKDGE-UHFFFAOYSA-N
- SMILES
- P(CCCC)(=O)(O)O
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 및 보호
Protective Action Criteria (PAC)
9.6 [mg/m3]
110 [mg/m3]
630 [mg/m3]
안전 데이터
- wgk
- 3
- ridadr
- 3261
- HS 번호
- 2931.39.0030
- risk_code
- 34-14
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
상·하류 제품 정보
상류 원료
공급사50 곳
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추가 설명
정의ChEBI: A member of the class of phosphonic acids that is phosphonic acid having a butyl group attached to the phosphorous atom.
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