1-브로모-2-에틸벤젠

1-Bromo-2-ethylbenzene

HCID 16089CAS 1973-22-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCc1ccccc1Br
InChIKey: HVRUGFJYCAFAAN-UHFFFAOYSA-N
분자식: C8H9Br
평균 분자량: 185.06 g/mol
단동위원소 질량: 183.98876239

이름 및 식별자

우선 이름: 1-Bromo-2-ethylbenzene
IUPAC: 1-bromo-2-ethylbenzene
현지명: 1-브로모-2-에틸벤젠
영어명: 2-Bromoethylbenzene
분자식: C8H9Br
분자량: 185.06

이름 및 동의어

1-BROMO-2-ETHYLBENZENE1973-22-4o-BromoethylbenzeneBenzene, 1-bromo-2-ethyl-2-Ethylbromobenzene1-Bromo-2-EthYl-Benzene2-bromophenyl ethaneMFCD000000771-Bromo-2-ethyl benzene1-Bromo-2-ethylbenzene, 99%DTXSID20173402CS-W016966

이름 더 보기

1-브로모-2-에틸벤젠C8H9Br1-Bromo-2-ethyLBromoathylbenzene2-Brom-ethylbenzol2-Bromoethylbenzeneo-ethylbromobenzene1-Ethyl-2-brombenzol

Z12554573721-Ethyl-2-bromobenzene2-Bromo-1-ethylbenzeneEINECS 217-823-8Bromo-2-ethylbenzeneTBE7SE8H6Qbenzene, 1-bromo-2-ethylSCHEMBL155397

데이터베이스 식별자

CAS: 1973-22-4
PubChem CID: 16089
DTXSID: DTXSID20173402
UNII: TBE7SE8H6Q
EC Number: 217-823-8
Nikkaji: J99.474J

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 80.6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesBoiling point

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -56 °C · -56 °C
끓는 점: 199 °C · 199 °C(lit.)
밀도: 1.338 g/mL · 1.338 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.549(lit.)
인화점: 171 °F · 171 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
Specific Gravity: 1.35 · 1.35
BRN: 1929735 · 1929735
Henry's Law Constant: 3 · 3.0×10-3 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
InChI: InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKey: HVRUGFJYCAFAAN-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC=C1CC
NIST: 1 · Benzene, 1-bromo-2-ethyl-(1973-22-4)

화학적 성질

Clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzene, 1-bromo-2-ethyl-

Benzene, 1-bromo-2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Ethyl benzene.

Hazard Classes and CategoriesSkin Irrit. 2 (93.8%)

안전 데이터

wgk: 3
ridadr: UN 3082 9/PG 3
HS 번호: 29036990
risk_code: 36/37/38-51/53
hazard_code: Xi,N,O
safety_code: 26-61-24/25
위험 등급: IRRITANT
F 고인화성물질: 9
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도1-Bromo-2-ethylbenzene may be used in the synthesis of:1-(2′-ethylphenyl)ethanolN-benzyl-P-(2-ethylphenyl)-P-phenylphosphinic amide4-(isopropyldimethylsilyl)-2-(2-ethylphenyl)pyridine5-amino-2′-ethyl -biphenyl-2-ol, used for modification of carbon paste electrode

일반 설명1-Bromo-2-ethylbenzene is an organobromine compound.