퍼플로로톨루엔

Octafluorotoluene

HCID 9906

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 434-64-0
표준 SMILES: Fc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIKey: USPWUOFNOTUBAD-UHFFFAOYSA-N
분자식: C7F8
평균 분자량: 236.06 g/mol
단동위원소 질량: 235.98722576

개요

derivatizing agent for steroids in human plasma

이름 및 식별자

우선 이름: Octafluorotoluene
IUPAC: 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)benzene
현지명: 퍼플로로톨루엔
영어명: OCTAFLUOROTOLUENE
분자식: C7F8
분자량: 236.06

이름 및 동의어

OCTAFLUOROTOLUENE434-64-0PerfluorotolueneToluene, octafluoro-(Trifluoromethyl)pentafluorobenzenePentafluorobenzotrifluoride4EFB94M9FVBenzene, 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)-NSC-88302RefChem:167723207-104-71,2,3,4,5-Pentafluoro-6-(trifluoromethyl)benzene

이름 더 보기

퍼플로로톨루엔옥타플루오로톨루엔OctafLOctafluortoluolOctaflurotolueneoctafluoro-toluen0ctafluorotoluenetoluene,octafluoro-Perfluorotoluene 98%

Benzene, pentafluoro(trifluoromethyl)-MFCD00000375C7F8DTXSID1059993Octafluorotoluene, 98%UNII-4EFB94M9FV2,3,4,5,6-pentafluoro-1-(trifluoromethyl)benzeneSCHEMBL308464

데이터베이스 식별자

CAS: 434-64-0
PubChem CID: 9906
DTXSID: DTXSID1059993
ChEMBL: CHEMBL455799
UNII: 4EFB94M9FV
EC Number: 207-104-7
Nikkaji: J48.035E

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 210

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesBoiling point

LogP3.0

Vapor Pressure29.0 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -65.6 °C · -65.6 °C
끓는 점: 104 °C · 104 °C (lit.)
밀도: 1.666 g/mL · 1.666 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.368(lit.)
인화점: 69 °F · 69 °F
저장 조건: Flammables area
용해도: 클로로포름, 메탄올(약간)에 용해됨
물리적 상태: 액체
색상: 무색
Specific Gravity: 1.666 · 1.666
비열: 1.11 J/ · Cp(liquid): 1.11 J/(g·K), at 25℃
BRN: 2057072 · 2057072
InChI: 1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10
InChIKey: USPWUOFNOTUBAD-UHFFFAOYSA-N
SMILES: Fc1c(F)c(F)c(c(F)c1F)C(F)(F)F
NIST: Benzene, pentafluoro(trifluoromethyl)-(434-64-0)
EPA: Octafluorotoluene (434-64-0)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, 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 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryCauses changes in recordings from specific areas of the CNS and convulsions in inhalation lethal-concentration studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion and inhalation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Toxicity DataLC50 (rat) = 2,700 mg/m3/4hr

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: XT3530000
ridadr: UN 1993 3/PG 2
독성: LCLo ihl-mus: 5000 ppm/10M ANASAB 19,167,64
HS 번호: 29039990
risk_code: 11-36/37/38-36/38-20/22
hazard_code: F,Xi,Xn
safety_code: 16-26
포장분류: II
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 4 OralFlam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

UsesDerivatizing agent for steroids in human plasma. [ChemIDplus]

General Manufacturing InformationBenzene, 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)-: ACTIVE

상·하류 제품 정보

하류 제품

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

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

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

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