Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate

HCID 522203CAS 663-35-4

기본 정보

표준 SMILES: CCOC(=O)CC(=O)C(F)(F)C(F)(F)F
InChIKey: MWGSZQXKIYWSFS-UHFFFAOYSA-N
분자식: C7H7F5O3
평균 분자량: 234.12 g/mol
단동위원소 질량: 234.03153489

이름 및 식별자

우선 이름: Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate
IUPAC: ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate
영어명: ETHYL PENTAFLUOROPROPIONYLACETATE
분자식: C7H7F5O3
분자량: 234.12

이름 및 동의어

Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerateRefChem:595096628-364-1Ethyl pentafluoropropionylacetate663-35-4Ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoateEthyl pentafluoropropionyl acetateMFCD00013569C7H7F5O3Pentanoic acid, 4,4,5,5,5-pentafluoro-3-oxo-, ethyl esterethyl 3-oxo-4,4,5,5,5-pentafluoropentanoateEthyl pentafluoropropanoyl acetate

이름 더 보기

AKOS B020260ART-CHEM-BB B0202605-fluoropylacetic acidethyl esterEthyl(pentafluoropropionyl)acetate95%Ethyl (pentafluoropropionyl)acetate 95%Pentafluoropropionylaceticacidethylester

DTXSID20880144ETHYLPENTAFLUOROPROPIONYLACETATE4,4,5,5,5-pentafluoro-3-oxovaleric acid ethylethyl 4,4,5,5,5-pentafluoro-3-oxo-pentanoateSCHEMBL1262144,4,5,5,5-Pentafluoro-3-oxovaleric Acid Ethyl EsterSBB032272AKOS000310041

데이터베이스 식별자

CAS: 663-35-4
PubChem CID: 522203
DTXSID: DTXSID20880144
EC Number: 628-364-1
Nikkaji: J208.922J

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 258

물리화학적 성질

끓는 점: 143 · 143-145 °C (lit.)
밀도: 1.338 g/mL · 1.338 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.367(lit.)
인화점: 118 °F · 118 °F
산도 계수 (pKa): 7.66 · 7.66±0.46(Predicted)
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 4746481 · 4746481
InChI: 1S/C7H7F5O3/c1-2-15-5(14)3-4(13)6(8,9)7(10,11)12/h2-3H2,1H3
InChIKey: MWGSZQXKIYWSFS-UHFFFAOYSA-N
SMILES: CCOC(=O)CC(=O)C(F)(F)C(F)(F)F
EPA: Ethyl pentafluoropropionyl acetate (663-35-4)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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. Each notification may be associated with multiple companies.；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 CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (13.3%)；Eye Irrit. 2 (13.3%)；STOT SE 3 (11.1%)

안전 데이터

wgk: 3
ridadr: UN 3272 3/PG 3
HS 번호: 29183000
risk_code: 10
hazard_code: F
safety_code: 16
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

일반 설명Ethyl pentafluoropropionyl acetate is a fluorinated ester

상·하류 제품 정보

상류 원료

공급사49 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

常州新氟化学有限公司13275212658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

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