9-(Chloromethyl)anthracene

icr448 · ICR 448 · 9-Chlormethyl-anthracen · 9-Chloromethyanthracene · 9-chloromethyl-anthracen · 9-CHLOROMETHYLANTHRACENE · 9-(choromethyl)anthracene · 9-(chloroMethyl)antracene

https://huagongshe.com/ko/chemical/32385

식별자 및 물리적 특성

CAS No.	24463-19-2
분자식	C15H11Cl
평균 분자량	226.7 g/mol
단동위원소 질량	226.05492803 g/mol
SMILES	ClCc1c2ccccc2cc2ccccc12
InChIKey	PCVRSXXPGXRVEZ-UHFFFAOYSA-N
PubChem CID	32385
ChEMBL	CHEMBL1446266
EC No.	246-274-7
DTXSID	DTXSID00179220

화학 및 물리적 성질

XLogP	5.1
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	1
무거운 원자 수	16
형식 전하	0
복잡도	216
녹는점	138-140 °C (lit.)
끓는 점	294.66°C (rough estimate)
밀도	1.1510 (rough estimate)
굴절률	1.6281 (estimate)
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
용해도	클로로포름: 용해성
물리적 상태	가루
색상	노란색
용해도	클로로포름에 용해됩니다. 물에 불용성.
BRN	1873394
InChI	InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKey	PCVRSXXPGXRVEZ-UHFFFAOYSA-N
SMILES	C1=C2C(C=C3C(=C2CCl)C=CC=C3)=CC=C1
NIST	9-(Chloromethyl)anthracene(24463-19-2)

화학적 성질

YELLOW POWDER

안전 및 규제

GHS 분류	DangerH314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Anthracene, 9-(chloromethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Corr. 1B (16.7%)
수질 위해 등급(WGK)	3
RTECS 번호	CA9600000
운송 번호(UN)	UN 3261 8/PG 2
독성	mouse,LDLo,intravenous,2267ug/kg (2.267mg/kg),Cancer Research. Vol. 36, Pg. 2423, 1976.
관세 코드	29039990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
포장분류	III
위험 등급	8Eye Irrit. 2Skin Irrit. 2STOT SE 3
F 고인화성물질	19
저장 분류	8A - Combustible corrosive hazardous materials

용도

9-(Chloromethyl)anthracene is used as a blocking group reagent used for carboxylic acids, phenols, mercaptans and thiophenols. It is a derivatizing agent for carboxylic acids giving esters with enhanced UV and fluorescence detection in HPLC.