3,4-디클로로벤질클로라이드

3,4-디클로로벤질클로라이드 · 3.4-다이클로로벤질 클로라이드 · 3,4-DICHLOROBENZYL CHLORIDE · 3,4-DCBC · AKOS BBS-00003955 · 3,4-Dichlorobenzyl · 3，4，Α-Trichlorotolue · 3,4-Dichlorobenzyl C

https://huagongshe.com/ko/chemical/7609

식별자 및 물리적 특성

CAS No.	102-47-6
분자식	C7H5Cl3
평균 분자량	195.5 g/mol
단동위원소 질량	193.945683 g/mol
SMILES	ClCc1ccc(Cl)c(Cl)c1
InChIKey	YZIFVWOCPGPNHB-UHFFFAOYSA-N
PubChem CID	7609
EC No.	203-033-0
DTXSID	DTXSID9059252
현지명	3,4-디클로로벤질클로라이드

화학 및 물리적 성질

XLogP	4
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	105
Kovats Retention Index	1355.81353.6
녹는점	-3 °C
끓는 점	122-124 °C14 mm Hg(lit.)
밀도	1.411 g/mL at 25 °C(lit.)
굴절률	n20/D 1.577(lit.)
인화점	155 °C
저장 조건	Store below +30°C.
용해도	에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태	액체
비중	1.409
색상	투명하고 무색에서 아주 약간 노란색을 띤다.
BRN	386644
InChI	InChI=1S/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey	YZIFVWOCPGPNHB-UHFFFAOYSA-N
SMILES	C1(Cl)=CC=C(CCl)C=C1Cl
NIST	Benzene, 1,2-dichloro-4-(chloromethyl)-(102-47-6)
EPA	Benzene, 1,2-dichloro-4-(chloromethyl)- (102-47-6)

화학적 성질

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류	DangerH314 (94.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (88.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 9 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.
규제 정보	Chemical: Benzene, 1,2-dichloro-4-(chloromethyl)-Benzene, 1,2-dichloro-4-(chloromethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Skin Corr. 1B (94.1%)STOT SE 3 (88.2%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3265 8/PG 2
관세 코드	29036990
위험 문구(R)	34-36/37
위험 표시	C
안전 문구(S)	26-36/37/39-45
포장분류	III
위험 등급	8Eye Dam. 1Skin Corr. 1BSTOT SE 3
F 고인화성물질	19
위험 참고 사항	Corrosive

용도

3,4-Dichlorobenzyl chloride has been used:in Friedel-Crafts synthesis of 4-(3,4-dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone, a key intermediate for the synthesis of sertralineas alkylating agent in synthesis of poly(ether ketone)s having pendant sulfonic acid groupsin preparation of 5,6-dichloro-2-(3,4-dichlorobenzylthio)benzimidazole