2-Benzylacrylic Acid

NSC 192640 · 2-Benzyl Acrylic · 2-BenzylacrylicAci · BENZYL ACRYLIC ACID · 2-BENZYLACRYLIC ACID · A-BENZYLACRYLIC ACID · o-benzyl acrylic acid · 2-BENZYLACRYLIC ACIDE

https://huagongshe.com/ko/chemical/303571

식별자 및 물리적 특성

CAS No.	5669-19-2
분자식	C10H10O2
평균 분자량	162.18 g/mol
단동위원소 질량	162.06807956 g/mol
SMILES	C=C(Cc1ccccc1)C(=O)O
InChIKey	RYNDYESLUKWOEE-UHFFFAOYSA-N
PubChem CID	303571
ChEMBL	CHEMBL3799698
EC No.	438-550-2
DTXSID	DTXSID60972138

화학 및 물리적 성질

XLogP	2.3
극성 표면적	37.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	178
녹는점	66-68 °C
끓는 점	170-174 °C(Press: 20 Torr)
밀도	1.120
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	4.48±0.11(Predicted)
색상	흰색에서 황백색까지
안정성	감광성
InChI	InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)
InChIKey	RYNDYESLUKWOEE-UHFFFAOYSA-N
SMILES	C(C1C=CC=CC=1)C(=C)C(=O)O

화학적 성질

White Solid

안전 및 규제

GHS 분류	DangerH301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 8 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
규제 정보	Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22238
Hazard Classes and Categories	Acute Tox. 3 (12.5%)Eye Irrit. 2 (100%)
관세 코드	29163990

용도

Racecodotril intermediate

용도

2-Benzylacrylic acid is an organic acid compound, primarily used as an organic synthesis reagent or pharmaceutical intermediate. It can be used in the preparation of polymeric molecular brush hydrogels, the enkephalinase inhibitor Acetorphan, and nano-pesticide formulations.