Benzene, 2-iodo-1,3-dimethyl-

2-IODO-M-XYLENE · 2,6-DIMETHYLIODOBENZENE · 2-Jod-m-xylol · 2-IODO-O-XYLENE · m-Xylene,2-iodo- · m-Xylene, 2-iodo- · I**2-IODO-M-XYLENE · 2-Iodo-m-xylene>2-Iodo-m-xylene,98%

https://huagongshe.com/ko/chemical/69097

식별자 및 물리적 특성

CAS No.	608-28-6
분자식	C8H9I
평균 분자량	232.06 g/mol
단동위원소 질량	231.9749 g/mol
SMILES	Cc1cccc(C)c1I
InChIKey	QTUGGVBKWIYQSS-UHFFFAOYSA-N
PubChem CID	69097
EC No.	612-042-2
DTXSID	DTXSID5060560

화학 및 물리적 성질

XLogP	3.3
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
Kovats Retention Index	1241.9
녹는점	11.2°C
끓는 점	223-224 °C (lit.)
밀도	1.608 g/mL at 25 °C (lit.)
굴절률	n20/D 1.6030(lit.)
인화점	216 °F
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	기름
색상	맑은 연한 노란색
용해도	불용성
BRN	1857414
InChI	1S/C8H9I/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3
InChIKey	QTUGGVBKWIYQSS-UHFFFAOYSA-N
SMILES	Cc1cccc(C)c1I
NIST	Benzene, 2-iodo-1,3-dimethyl-(608-28-6)
EPA	Benzene, 2-iodo-1,3-dimethyl- (608-28-6)

화학적 성질

clear green-brown to brown liquid

안전 및 규제

GHS 분류	DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (84.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 46 reports by companies from 5 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Dam. 1 (84.8%)Eye Irrit. 2 (15.2%)STOT SE 3 (95.7%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29039990
위험 문구(R)	37/38-41-36/37/38
위험 표시	Xi,C
안전 문구(S)	26-36-37/39
위험 등급	IRRITANTEye Dam. 1Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

2-Iodo-m-xylene is used in the preparation of p-(arylethynyl)arylpropanoic acid derivatives as free fatty acid receptor 1 agonists with low lipophilicity and high oral bioavailability.