1-Bromo-4-butylbenzene (HCID 521059)

이름 및 식별자

우선 이름: 1-Bromo-4-butylbenzene
IUPAC: 1-bromo-4-butylbenzene
현지명: 1-브로모-4-부틸벤젠
영어명: 1-Bromo-4-butylbenzene
분자식: C10H13Br
분자량: 213.11

이름 및 동의어

1-Bromo-4-butylbenzene41492-05-1DTXSID10334540RefChem:430620DTXCID20285630472-210-41-Bromo-4-n-Butylbenzene4-Bromo-n-butylbenzeneMFCD000409344-n-ButylbromobenzeneBenzene, 1-bromo-4-butyl-P-BROMOBUTYLBENZENE

이름 더 보기

1-브로모-4-부틸벤젠파라-브로모부틸벤젠4-부틸브로모벤젠1-브로모-4-뷰틸벤젠4PBr1-Bromo-4-butyLFor butylbenzene4-BROMOBUTYLBENZENE4-Butylbromobenzenep-Butylbromobenzene1-Bromo-4-butylbenzeBroMine toDing Jiben

1-Bromo-4-ButYl-Benzene4-butyl-bromobenzenep-bromo-n-butylbenzene4-1-Butylbromobenzene4-(butyl)phenylbromide1-bromo-4-butyl benzene1-Bromo-4-butylbenzene #4-(But-1-yl)bromobenzene

데이터베이스 식별자

CAS: 41492-05-1
PubChem CID: 521059
DTXSID: DTXSID10334540
EC Number: 472-210-4、609-932-8
Nikkaji: J730.044A

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 93

물리화학적 성질

녹는점: -25.5 °C · -25.5°C
끓는 점: 242 °C · 242°C
밀도: 1.208 g/mL · 1.208 g/mL at 25 °C(lit.)
증기압: 2.2 Pa · 2.2Pa at 25℃
굴절률: 20 · n20/D 1.53(lit.)
인화점: 227 °F · 227 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색~황색으로 투명함
Specific Gravity: 1.24 · 1.24
수용성: 450 μg/L · 450μg/L at 20℃
BRN: 2080263 · 2080263
InChI: 1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChIKey: BRGVKVZXDWGJBX-UHFFFAOYSA-N
SMILES: CCCCc1ccc(Br)cc1
LogP: 5.4 at · 5.4 at 25℃
NIST: 4 · 4-Bromo-n-butylbenzene(41492-05-1)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 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 InformationStatus: Active Update: 09-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30315

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)；Eye Irrit. 2 (97.7%)；STOT SE 3 (97.7%)

Skin Irrit. 2 (100%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (33.3%)；Aquatic Acute 1 (33.3%)；Aquatic Chronic 1 (33.3%)

규제 정보

Regulatory InformationStatus: Active Update: 09-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30315

안전 데이터

wgk: 3
HS 번호: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36-24/25
위험 등급: IRRITANT
Hazard Classifications: Aquatic Chronic 1Eye Dam. 1Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1-Bromo-4-butylbenzene was used in the preparation of:4-(4-butylphenyl)-2-methylbut-3-yn-2-olteraaza- and hexaazacyclophane4-butyltriphenylamine, monomer required for the preparation of poly(4-butyltriphenylamine)

일반 설명Phosphite or phosphine oxide ligand catalyzed Suzuki-Miyaura reaction of 2-pyridyl boron derivatives with 1-bromo-4-butylbenzene has been reported.