Pentafluorobenzoyl chloride (HCID 75256)

개요

Pentafluorobenzoyl chloride is the acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography. It has a role as a chromatographic reagent. It is a perfluorinated compound and an acyl chloride. It is functionally related to a pentafluorobenzoic acid.

이름 및 식별자

우선 이름: Pentafluorobenzoyl chloride
IUPAC: 2,3,4,5,6-pentafluorobenzoyl chloride
영어명: Pentafluorobenzoyl chloride
분자식: C7ClF5O
분자량: 230.52

이름 및 동의어

Pentafluorobenzoyl chloride2251-50-52,3,4,5,6-Pentafluorobenzoyl chloride4RXU8P4SDSNSC-97002CHEBI:39425DTXSID90177033RefChem:171363DTXCID0099524218-842-4pentafluorobenzoylchloridePerfluorobenzoyl chloride

이름 더 보기

SKL1300Pentafluorobenzoyl cpentaflurobenzyl cyanidePentafluorobenzoylchloride99%PentafluorobenzoylChloride>

Benzoyl chloride, pentafluoro-C7ClF5OMFCD00000657pentafluorobenzoychlorideNSC97002EINECS 218-842-4NSC 97002UNII-4RXU8P4SDS

데이터베이스 식별자

CAS: 2251-50-5
PubChem CID: 75256
DTXSID: DTXSID90177033
ChEBI: CHEBI:39425
UNII: 4RXU8P4SDS
EC Number: 218-842-4
Nikkaji: J106.089I

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 222

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

끓는 점: 158 · 158-159 °C(lit.)
밀도: 1.601 g/mL · 1.601 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.453(lit.)
인화점: None
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름에 용해됨
물리적 상태: 액체
Specific Gravity: 1.601 · 1.601
색상: 무색투명~연황색
수용성: 물에서 분해되다
BRN: 2054397 · 2054397
안정성: 수분에 민감한
InChI: 1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10
InChIKey: MYHOHFDYWMPGJY-UHFFFAOYSA-N
SMILES: Fc1c(F)c(F)c(c(F)c1F)C(Cl)=O
NIST: Pentafluorobenzoyl chloride(2251-50-5)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29163900
risk_code: 14-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
F 고인화성물질: 10-19-21
위험 참고 사항: Corrosive/Lachrymator
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

개요Pentafluorobenzoyl chloride is the acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography. It has a role as a chromatographic reagent. It is an acyl chloride and a perfluorinated compound. It derives from a pentafluorobenzoic acid.2,3,4,5,6-Pentafluorobenzoyl chloride was used for derivatization of 5-androstenediol, testosterone, estradiol , dihydrotestosterone and estrone in a study to determine their serum levels. 2,3,4,5,6-Pentafluorobenzoyl chloride was used to derivatize dimethylamine(DMA) in study to develop a rapid and accurate GC–MS method for determination of DMA in human urine. 2,3,4,5,6-Pentafluorobenzoyl chloride was used in a study to detect the presence of Enterobacter cloacae in cultures of Leuconostoc mesenteroide by gas chromatography/mass spectrometry.

용도Pentafluorobenzoyl Chloride is a useful analytical reagent in the derivatization amphetamines as well as other primary amines.

상·하류 제품 정보

하류 제품

2,3,4,5,6-Pentafluoroaniline

공급사50 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]

山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

추가 설명

정의ChEBI: The acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography.