CAS 2367-76-2 1-Bromo-2,4,6-trifluorobenzene (HCID 75398)

이름 및 식별자

우선 이름: 1-Bromo-2,4,6-trifluorobenzene
IUPAC: 2-bromo-1,3,5-trifluorobenzene
영어명: 1-Bromo-2,4,6-trifluorobenzene
분자식: C6H2BrF3
분자량: 210.98

이름 및 동의어

1-Bromo-2,4,6-trifluorobenzene2367-76-22-Bromo-1,3,5-trifluorobenzene2,4,6-TrifluorobromobenzeneBenzene, 2-bromo-1,3,5-trifluoro-EINECS 219-125-9SG6QA77T6RDTXSID80178337RefChem:430178DTXCID10100828219-125-92-bromo-1,3,5-trifluoro-benzene

이름 더 보기

1-Bromo-2,4,6-trifL1-Bromo-2,4,6-triflu2,4,6-Trifluorophenyl bromide1-Bromo-2,4,6-trifluorobezene1,3,5-Trifluoro-2-bromobenzene2,4,6-Trifluoro-1-bromobenzene

MFCD000003342,4,6-Trilfuorobromobenzene2,4,6-TrifluorovbromobenzeneUNII-SG6QA77T6RSCHEMBL9196652,4,6-tri-fluorobromobenzene2,4,6-trifluoro-bromobenzene1-bromo-2,4,6-triflurobenzene

데이터베이스 식별자

CAS: 2367-76-2
PubChem CID: 75398
DTXSID: DTXSID80178337
UNII: SG6QA77T6R
EC Number: 219-125-9
Nikkaji: J208.104K

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

물리화학적 성질

녹는점: 3.5 °C · 3.5 °C (lit.)
끓는 점: 140.5 °C · 140.5 °C (lit.)
밀도: 1.79 g/mL · 1.79 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.485(lit.)
인화점: 137 °F · 137 °F
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 기름
색상: 투명 무색~연황색
Specific Gravity: 1.8 · 1.80
BRN: 2502668 · 2502668
InChI: 1S/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
InChIKey: PZBSPSOGEVCRQI-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(Br)c(F)c1
NIST: 1 · 1-Bromo-2,4,6-trifluorobenzene(2367-76-2)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): 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 48 reports by companies from 6 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 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29039990
risk_code: 36/37/38-10
hazard_code: Xi,F
safety_code: 26-37/39-16
포장분류: III
위험 등급: 3
위험 참고 사항: Flammable/Irritant
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

일반 설명1-Bromo-2,4,6-trifluorobenzene exhibits packing polymorphism in two nonidentical solid-state phases. 1-Bromo-2,4,6-trifluorobenzene participates in Pd-catalyzed oxidative Heck reaction with allyl ester.