칼륨 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-헵타데카플루오로-1- 옥탄술폰산

Potassium perfluorooctanesulfonate

HCID 23669238
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2795-39-3
표준 SMILES
O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIKey
WFRUBUQWJYMMRQ-UHFFFAOYSA-M
분자식
C8F17KO3S
평균 분자량
538.22 g/mol
단동위원소 질량
537.89337628

이름 및 식별자

우선 이름
Potassium perfluorooctanesulfonate
IUPAC
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
현지명
칼륨 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-헵타데카플루오로-1- 옥탄술폰산
영어명
Potassium heptadecafluoro-1-octanesulfonate
분자식
C8F17KO3S
분자량
538.22

이름 및 동의어

2795-39-3Potassium perfluorooctanesulfonateFluorad FC 95Potassium heptadecafluorooctane-1-sulfonateDTXSID80377061-Octanesulfonic acid, heptadecafluoro-, potassium salt1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium saltE617073PI9DTXCID6017706NSC-184051-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt (1:1)RefChem:175572
이름 더 보기
퍼플루오로옥탄술폰산칼륨1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-헵타데카플루오로-1-옥탄술폰산퍼플루오로옥탄술폰산칼륨퍼플루오로옥탄술폰산칼륨퍼플루오로-1-옥테인설폰산, 칼륨염1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-헵타데카플루오로-1-옥테인설폰산, 포타슘 염1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-헵타데카플루오로-1-옥테인설폰산, 포타슘 염 (1:1)1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-헵타데카플루오로옥테인-1-설폰산, 포타슘 염1-옥테인설폰산, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-헵타데카플루오로-, 포타슘 염퍼플루오로옥탄술폰산 칼륨포타슘 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-헵타데카플루오로옥테인-1-설포네이트헵타데카플루오로옥테인-1-설폰산 포타슘FC-95Potassium Perfluoro-1-octanesulfonatePERFLUOROOCTANESULFONATE,POTASSIUMSALTPerfluorooctanesulfonic acid potassiumPerfluorooctansulfonic acid potassium saltFC-80F 110EF 102Fluorad 95
potassium perfluorooctane sulfonate220-527-1Potassium heptadecafluoro-1-octanesulfonatePerfluorooctanesulfonic acid potassium saltPotassium heptadecafluorooctane-1-sulphonateFloral FC 95MFCD00066407Heptadecafluorooctanesulfonic acid potassium salt

데이터베이스 식별자

CAS
2795-39-3
PubChem CID
23669238
DTXSID
DTXSID8037706
ChEMBL
CHEMBL1902978
UNII
E617073PI9
EC Number
220-527-1
Nikkaji
J256.567F

물성

구조 계산 물성

극성 표면적
65.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
20
회전 가능 결합 수
7
무거운 원자 수
30

실험 및 물리화학적 성질

PFAS · 4건

PFAS -> Other/unspecified

PFAS -> non-polymer

PFAS -> OECD Category

PFAS -> Perfluoroalkyl acids (PFAAs)

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
277 · 277-280 °C(lit.)
밀도
1.1 · 1.1
용해도
메탄올, 물(약간 가열, 초음파 처리)에 용해됨
물리적 상태
가루
색상
하얀색
BRN
3864579 · 3864579

화학적 성질

Brown solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)

Danger

H301 (48.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Chemical: 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt

Hazard Traits - Bioaccumulation; Environmental Persistence; Reproductive Toxicity

S - indicates a substance that is identified in a final Significant New Use Rule.

Substance: Potassium heptadecafluorooctane-1-sulphonate

Other Safety InformationIMAP assessments - Perfluorooctane sulfonate (PFOS) and its Direct Precursors: Human health tier II assessment
Hazard Classes and Categories · 6건

Acute Tox. 3 (48.4%)

Carcinogenicity - category 2

Acute toxicity (Oral) - Category 3

Reproductive toxicity - Category 1B

Carcinogenicity - Category 2

Carc. 2

독성 정보

RAIS Toxicity Values · 6건

1e-07

DWSHA

1e-07

DWSHA

2e-06

ATSDR Final

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

6.30e-03

5.80e-02

2.00e-03

4.00e-03

1.5e-05

3.95e+01

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6건

1.90e-02

2.50e-01

6.00e-03

4.00e-03

3.95e+01

1e-07

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
RG9701850
ridadr
UN 2811 6.1/PG 3
HS 번호
29049090
risk_code
20/22-36/37/38-51/53-22-57-64-48/25-40-61

화학 및 산업

용도 및 제조

Uses · 2건

non-polymer PFAS -> Semiconductor Industry -> Etching the SiO2 coating of the semiconductor device

• Additive in aviation hydraulic fluid [Ref: POPRC. 2019. Report on the Assessment of Alternatives to Perfluorooctane Sulfonic Acid, Its Salts and Perfluorooctane Sulfonyl Fluoride (UNEP/POPS/POPRC.14/INF/13).]

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt (1:1): ACTIVE

응용 분야

용도Potassium heptadecafluoro-1-octanesulfonate is a persistent environmental pollutant that may cause adverse health effects in humans.

상·하류 제품 정보

공급사102 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]

관련 반응

7건
반응 기록 만들기

화합물 노트

불러오는 중…