5-브로모-메타-크실렌

5-브로모-M-자일렌 · 5-브로모-메타-크실렌 · 1-BROMO-3,5-DIMETHYLBENZENE · 3,5-Dimethylbromobenzene · 5-Bromo-1,3-xylene · 5-Bromo-m-xyL · 5-BROMO-M-XYLENE · 5-BROMOMETAXYLENE

https://huagongshe.com/ko/chemical/136357

식별자 및 물리적 특성

CAS No.	556-96-7
분자식	C8H9Br
평균 분자량	185.06 g/mol
단동위원소 질량	183.98876239 g/mol
SMILES	Cc1cc(C)cc(Br)c1
InChIKey	LMFRTSBQRLSJHC-UHFFFAOYSA-N
PubChem CID	136357
EC No.	629-686-5
DTXSID	DTXSID00204142
현지명	5-브로모-메타-크실렌

화학 및 물리적 성질

XLogP	3.4
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	80.6
SpringerMaterials Properties	Optical coefficient
녹는점	-20.49°C (estimate)
끓는 점	202-204 °C(lit.)
밀도	1.362 g/mL at 25 °C(lit.)
굴절률	n20/D 1.549(lit.)
인화점	189 °F
저장 조건	Sealed in dry,Room Temperature
용해도	테트라히드로푸란과 혼합 가능.
물리적 상태	액체
비중	1.362
색상	무색투명~연황색
BRN	1926375
InChI	InChI=1S/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3
InChIKey	LMFRTSBQRLSJHC-UHFFFAOYSA-N
SMILES	C1(Br)=CC(C)=CC(C)=C1
NIST	Benzene, 1-bromo-3,5-dimethyl-(556-96-7)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류	WarningH315 (98.7%): 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 78 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (98.7%)
수질 위해 등급(WGK)	3
관세 코드	29036990
위험 문구(R)	36/37/38-22
위험 표시	Xi
안전 문구(S)	26-36/37/39-37/39
위험 참고 사항	Irritant

용도

5-Bromo-m-xylene has been used in the synthesis of substituted 2,2′-bis(diphenylphosphanylmethyl)-1,1′-binaphthyl derivatives.

일반 설명

Palladium catalyzed carbon-oxygen coupling of 1-bromo-3,5-dimethylbenzene and o-cresol to potassium hydroxide to produce o-tolyl-3,5-xylyl ether has been reported.