3,3-비스(메틸티오)-2-시아노아크릴산에틸에스테르

Ethyl 3,3-Bis(methylthio)-2-cyanoacrylate

HCID 2747745

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17823-58-4
표준 SMILES: CCOC(=O)C(C#N)=C(SC)SC
InChIKey: POABRARINOCORV-UHFFFAOYSA-N
분자식: C8H11NO2S2
평균 분자량: 217.3 g/mol
단동위원소 질량: 217.02312059

이름 및 식별자

우선 이름: Ethyl 3,3-Bis(methylthio)-2-cyanoacrylate
IUPAC: ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
현지명: 3,3-비스(메틸티오)-2-시아노아크릴산에틸에스테르
영어명: 3,3-BIS(METHYLTHIO)-2-CYANOACRYLIC ACID ETHYL ESTER
분자식: C8H11NO2S2
분자량: 217.31

이름 및 동의어

Ethyl 3,3-Bis(methylthio)-2-cyanoacrylateRefChem:594537677-988-017823-58-4ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoateEthyl 2-cyano-3,3-bis(methylthio)acrylate3,3-Bis(methylthio)-2-cyanoacrylic Acid Ethyl Ester2-Propenoic acid, 2-cyano-3,3-bis(methylthio)-, ethyl esterMFCD00143027Ethyl 2-cyano-3,3-bis(methylthio)-2-propenoateSCHEMBL77082DTXSID90372687

이름 더 보기

3,3-비스(메틸티오)-2-시아노아크릴산에틸에스테르Ethyl 3,3-Bis(methylthio)-2-cyanoacrylate >Ethyl 2-cyano-3,3-bis(methylthio)-2-propenoateEthyl 2-cyano-3,3-bis(methylthio)acrylate >=98.0% (GC)

STL134948AKOS004903159BS-42147B1411CS-0074120ethyl 2-cyano-3,3-bis(methylthio)-acrylateST51038624ethyl 2-cyano-3,3-dimethylthioprop-2-enoate

데이터베이스 식별자

CAS: 17823-58-4
PubChem CID: 2747745
DTXSID: DTXSID90372687
EC Number: 677-988-0
Nikkaji: J254.902F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 101 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 13
형식 전하: 0
복잡도: 259

물리화학적 성질

녹는점: 58 °C · 58 °C
끓는 점: 315.6 · 315.6±42.0 °C(Predicted)
밀도: 1.216 · 1.216±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: White to Orange to Green
BRN: 1778721 · 1778721
InChI: 1S/C8H11NO2S2/c1-4-11-7(10)6(5-9)8(12-2)13-3/h4H2,1-3H3
InChIKey: POABRARINOCORV-UHFFFAOYSA-N
SMILES: CCOC(=O)\C(C#N)=C(\SC)SC

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGII
HS 번호: 29309090
risk_code: 20/21/22-36/37/38-23/24/25
hazard_code: T
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects