CAS 88444-81-9 1-Ethynyl-3,5-bis(trifluoromethyl)benzene (HCID 1512607)

기본 정보

CAS: 88444-81-9
표준 SMILES: C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: MAHIBRPXUPUAIF-UHFFFAOYSA-N
분자식: C10H4F6
평균 분자량: 238.13 g/mol
단동위원소 질량: 238.02171945

이름 및 식별자

우선 이름: 1-Ethynyl-3,5-bis(trifluoromethyl)benzene
IUPAC: 1-ethynyl-3,5-bis(trifluoromethyl)benzene
현지명: 3,5-BIS(트리플루오로메틸)페닐아세틸렌
영어명: 3,5-BIS(TRIFLUOROMETHYL)PHENYLACETYLENE
분자식: C10H4F6
분자량: 238.13

이름 및 동의어

88444-81-91-Ethynyl-3,5-bis(trifluoromethyl)benzeneDTXSID70363735RefChem:75788DTXCID70314782627-020-8MAHIBRPXUPUAIF-UHFFFAOYSA-N3',5'-Bis(trifluoromethyl)phenylacetylene3,5-BIS(TRIFLUOROMETHYL)PHENYLACETYLENEMFCD018618503',5'-Bis-trifluoromethylphenyl acetylene3',5'-Bis(trifluoromethyl)phenyl acetylene

이름 더 보기

3,5-BIS(트리플루오로메틸)페닐아세틸렌1-ETHYNYL-3SALOR-INT L308668-1EA1-ETHYNYL-3,5-BIS(TRIFLUOROMETHYL)BENZE&3,5-BIS(TRIFLUOROMETHYL)-1-ETHYNYLBENZENEBenzene, 1-ethynyl-3,5-bis(trifluoroMethyl

SCHEMBL313640AKOS015853187PS-76231-Ethynyl-3,5-bis(trifluoromethyl)benzene, 97%1,3-bis(trifluoromethyl)-5-ethynylbenzene3',5'-Bis-trifluoromethylphenylacetyleneFT-0642087SCHEMBL9996641

데이터베이스 식별자

CAS: 88444-81-9
PubChem CID: 1512607
DTXSID: DTXSID70363735
ChEMBL: CHEMBL4639052
EC Number: 627-020-8
Nikkaji: J2.078.200E

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 269

물리화학적 성질

끓는 점: 147 · 147-148 °C (lit.)
밀도: 1.346 g/mL · 1.346 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4230(lit.)
인화점: 112 °F · 112 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
InChI: InChI=1S/C10H4F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h1,3-5H
InChIKey: MAHIBRPXUPUAIF-UHFFFAOYSA-N
SMILES: C1(C#C)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1

화학적 성질

Yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29039990
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 16-26-36
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

상·하류 제품 정보

상류 원료

(3,5-BIS(TRIFLUOROMETHYL)PHENYLETHYNYL)&클로로포름 메틸알콜 탄산 칼륨

공급사80 곳

Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]

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

上海莉凯化工技术有限公司16628776521 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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