N-벤질-2-클로로아세트아미드

N-벤질-2-클로로아세트아미드 · NSC60743 · AI3-23530 · NSC 60743 · CCRIS 1828 · BRN 2091813 · AKOS B029210 · ZINC00028344

https://huagongshe.com/ko/chemical/96233

식별자 및 물리적 특성

CAS No.	2564-06-9
분자식	C9H10ClNO
평균 분자량	183.63 g/mol
단동위원소 질량	183.04509162 g/mol
SMILES	O=C(CCl)NCc1ccccc1
InChIKey	SRAXAXHQMCQHSH-UHFFFAOYSA-N
PubChem CID	96233
ChEMBL	CHEMBL3244845
EC No.	813-125-8
DTXSID	DTXSID90180325
현지명	N-벤질-2-클로로아세트아미드

화학 및 물리적 성질

XLogP	1.8
극성 표면적	29.1
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	143
녹는점	93-96 °C (lit.)
끓는 점	367.5±35.0 °C(Predicted)
밀도	1.1661 g/cm3
저장 조건	Storage temp. 2-8°C
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	14.25±0.46(Predicted)
색상	페일베이지
InChI	1S/C9H10ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKey	SRAXAXHQMCQHSH-UHFFFAOYSA-N
SMILES	ClCC(=O)NCc1ccccc1

안전 및 규제

GHS 분류	DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)
수질 위해 등급(WGK)	3
RTECS 번호	AB4546570
관세 코드	2924297099
위험 표시	Xi
위험 등급	IRRITANT
저장 분류	13 - Non Combustible Solids

용도

2-Chloro-N-benzylacetamide may be used in the preparation of: 2-[4-(Aryl substituted) piperazin-1-yl]-N-benzylacetamides by reacting with corresponding arylpiperazines.N-Methylacetamide and N-benzylacetamide by reacting with di-tert-butyl 1,4,7-triazacyclononane-1,4-diacetate.bis[N-Benzyl-2-(quinolin-8-yl-oxy)acetamide] monohydrate by reacting with 8-hydroxyquinoline.N-Benzyl-2-(1H-imidazol-1-yl)acetamide by reacting with imidazole.

일반 설명

2-Chloro-N-benzylacetamide can be prepared by reacting benzylamine and chloroacetylchloride.