2-Benzylacrylic Acid

HCID 303571CAS 5669-19-2

기본 정보

표준 SMILES: C=C(Cc1ccccc1)C(=O)O
InChIKey: RYNDYESLUKWOEE-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

이름 및 식별자

우선 이름: 2-Benzylacrylic Acid
IUPAC: 2-benzylprop-2-enoic acid
영어명: 2-Benzylacrylic acid
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

2-Benzylacrylic Acid5669-19-22-benzylprop-2-enoic acid2-methylene-3-phenylpropanoic AcidEWV0S2AX5BNSC-192640UNII-EWV0S2AX5BRacecadotril impurity E [EP]DTXSID60972138BENZENEPROPANOIC ACID, .ALPHA.-METHYLENE-Benzenepropanoic acid, alpha-methylene-RACECADOTRIL IMPURITY E [EP IMPURITY]

이름 더 보기

NSC 1926402-Benzyl Acrylic2-BenzylacrylicAciBENZYL ACRYLIC ACIDA-BENZYLACRYLIC ACIDo-benzyl acrylic acid2-BENZYLACRYLIC ACIDE2-Benzylacrylic Acid 22-Benzylacrylic Acid >

RACECADOTRIL IMPURITY E (EP IMPURITY)Racecadotril Impurity ERefChem:85584DTXCID201399620438-550-2611-412-02-benzyl acrylic acid62479-28-1

데이터베이스 식별자

CAS: 5669-19-2
PubChem CID: 303571
DTXSID: DTXSID60972138
ChEMBL: CHEMBL3799698
UNII: EWV0S2AX5B
EC Number: 438-550-2、611-412-0
Nikkaji: J81.073H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 178

물리화학적 성질

녹는점: 66 · 66-68 °C
끓는 점: 170 · 170-174 °C(Press: 20 Torr)
밀도: 1.12 · 1.120
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.48 · 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

GHS Classification · 6건

Danger

H301 (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.

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

유해성 정보

Regulatory InformationStatus: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22238

Hazard Classes and Categories · 2건

Acute Tox. 3 (12.5%)

Eye Irrit. 2 (100%)

안전 데이터

HS 번호: 29163990

화학 및 산업

응용 분야 · 2건

용도Racecodotril intermediate

용도2-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.