Pentafluorobenzyl bromide (HCID 74484)

이름 및 식별자

우선 이름: Pentafluorobenzyl bromide
IUPAC: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene
현지명: 펜타플로로벤질브로마이드
영어명: α-Bromo-2,3,4,5,6-pentafluorotoluene
분자식: C7H2BrF5
분자량: 260.99

이름 및 동의어

1765-40-8Pentafluorobenzyl bromide(Bromomethyl)pentafluorobenzeneBENZENE, (BROMOMETHYL)PENTAFLUORO-PFBBRV5VL554GFPNSC-96888DTXSID50170146RefChem:859805DTXCID8092637217-182-42,3,4,5,6-Pentafluorobenzyl bromide

이름 더 보기

알파-브로모-2,3,4,5,6-펜타플루오로톨루엔펜타플로로벤질브로마이드Pentafluorobenzylbromide99%PentafluorobenzylBromide>Pentafluorobenzylbromide,98+%Pentafluorobenzyl bromide 99%PENTAFLUOROBROMOMETHYL BENZENE

1-(Bromomethyl)-2,3,4,5,6-pentafluorobenzenealpha-Bromo-2,3,4,5,6-pentafluorotoluene1-BromomethylpentafluorobenzeneBENZENE, 1-(BROMOMETHYL)-2,3,4,5,6-PENTAFLUORO-2,3,4,5,6-pentafluorobenzylbromidepentafluorobenzylbromideMFCD00000299Toluene, alpha-bromo-2,3,4,5,6-pentafluoro-

데이터베이스 식별자

CAS: 1765-40-8
PubChem CID: 74484
DTXSID: DTXSID50170146
ChEBI: CHEBI:192780
UNII: V5VL554GFP
EC Number: 217-182-4
Nikkaji: J104.951H

물성

구조 계산 물성

XLogP: 3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 162

실험 및 물리화학적 성질

Physical DescriptionColorless liquid; mp = 18-20 deg C; [Alfa Aesar MSDS]

Kovats Retention Index991

물리화학적 성질

녹는점: 19 · 19-20 °C(lit.)
끓는 점: 174 · 174-175 °C(lit.)
밀도: 1.728 g/mL · 1.728 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.471(lit.)
인화점: 181 °F · 181 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름(가용성), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.728 · 1.728
색상: 무색~황색으로 투명함
수용성: 물에서 가수분해됩니다.
BRN: 647808 · 647808
InChI: 1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
InChIKey: XDEPVFFKOVDUNO-UHFFFAOYSA-N
SMILES: Fc1c(F)c(F)c(CBr)c(F)c1F
NIST: Benzene, (bromomethyl)pentafluoro-(1765-40-8)

화학적 성질

CLEAR COLOURLESS TO YELLOWISH LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (96.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H319 (12.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (12.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 9 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

Regulatory Information · 2건

Chemical: Benzene, (bromomethyl)pentafluoro-

2,3,4,5,6-Pentafluorobenzylbromide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryHydrolyzed by water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Hexafluorobenzene.

Hazard Classes and CategoriesSkin Corr. 1B (96.4%)；Eye Irrit. 2 (12.7%)；STOT SE 3 (12.7%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

규제 정보

Regulatory Information · 2건

Chemical: Benzene, (bromomethyl)pentafluoro-

2,3,4,5,6-Pentafluorobenzylbromide: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29039990
risk_code: 34-36/37/38-36/37-22
hazard_code: C,Xi
safety_code: 26-36/37/39-45-23-27
포장분류: II
위험 등급: 8
F 고인화성물질: 19
위험 참고 사항: Irritant/Lachrymatory
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Pentafluorobenzyl bromide (PFB-Br) is an alkylating reagent which can be used to modify hydroxyl groups, carboxyl groups, sulfhydryl groups, and amines.PFB-Br can also be used to measure nitrite and peroxynitrite.It is a versatile reagent.

일반 설명Pentafluorobenzyl bromide (PFB-Br) is a derivatization reagent. Excess reagent may be removed by reaction with an aminophenol. It is an alkylation reagent suitable for electron capture detector (ECD) detection. It is also a lachrymator.