기본 정보
- 표준 SMILES
COC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
MRPUVAKBXDBGJQ-UHFFFAOYSA-N- 분자식
- C5H3F7O2
- 평균 분자량
- 228.06 g/mol
- 단동위원소 질량
- 228.00212688
이름 및 식별자
- 우선 이름
- Methyl 2,2,3,3,4,4,4-heptafluorobutanoate
- IUPAC
- methyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 영어명
- METHYL HEPTAFLUOROBUTYRATE
- 분자식
- C5H3F7O2
- 분자량
- 228.06
이름 및 동의어
Methyl heptafluorobutyrate356-24-1Methyl 2,2,3,3,4,4,4-heptafluorobutanoateMethyl perfluorobutyrateButanoic acid, heptafluoro-, methyl esterHeptafluorobutyryl methyl esterOZ6T850AR02,2,3,3,4,4,4-Heptafluoro-butyric acid methyl esterRefChem:817767206-600-0Methyl heptafluorobutanoateMethyl perfluorobutanoate
이름 더 보기
methylheptafluorobutanoateMETHYL PERFLUORO-N-BUTYRATEMethylHeptafluorobutyrate>METHYL HEPTAFLUORO-N-BUTYRATEMethyl perfluorobutanoate 98%Methylheptafluorobutyrate,98%
Heptafluorobutyric acid methyl esterMFCD00000433Butyric acid, heptafluoro-, methyl esterDTXSID4059881methylheptafluorobutyrateButanoic acid, 2,2,3,3,4,4,4-heptafluoro-, methyl esterEINECS 206-600-0methyl perfluorbutanoate
데이터베이스 식별자
- CAS
356-24-1- PubChem CID
- 67741
- DTXSID
DTXSID4059881- UNII
- OZ6T850AR0
- EC Number
- 206-600-0
- Nikkaji
- J111.004G
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 231
실험 및 물리화학적 성질
PFAS
PFAS -> Other/unspecified
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
PFAS -> OECD Category
SpringerMaterials PropertiesDiamagnetic susceptibility
물리화학적 성질
- 녹는점
- -86 °C · -86°C
- 끓는 점
- 80 · 80-81 °C(lit.)
- 밀도
- 1.472 g/mL · 1.472 g/mL at 25 °C(lit.)
- 증기 밀도
- 1 · >1 (vs air)
- 굴절률
- 20 · n20/D 1.293(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · Storage temp. 2-8°C
- 수용성
- 물에 약간 용해됨
- 물리적 상태
- 투명한 액체
- Specific Gravity
- 1.472 · 1.472
- 색상
- 무색 내지 거의 무색
- BRN
- 1792131 · 1792131
- InChI
- InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
- InChIKey
- MRPUVAKBXDBGJQ-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C(F)(F)C(F)(F)C(F)(F)F
- EPA
- Methyl heptafluorobutyrate (356-24-1)
화학적 성질
clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24059
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG II
- HS 번호
- 29159000
- risk_code
- 36/37/38
- hazard_code
- Xi,F
- safety_code
- 26-36-36/37/39
- 포장분류
- II
- 위험 등급
- IRRITANT, FLAMMABLE
- 위험 참고 사항
- Flammable
화학 및 산업
용도 및 제조
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationButanoic acid, 2,2,3,3,4,4,4-heptafluoro-, methyl ester: ACTIVE
응용 분야
용도Methyl Heptafluorobutyrate is used in method for preparing high-carbon branched secondary Alcohol, and its application in preparing surfactant.
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