기본 정보
- CAS
13361-32-5- 표준 SMILES
C=CCOC(=O)CC#N- InChIKey
WXKCRCGKCOKJEF-UHFFFAOYSA-N- 분자식
- C6H7NO2
- 평균 분자량
- 125.13 g/mol
- 단동위원소 질량
- 125.04767847
이름 및 식별자
- 우선 이름
- Allyl cyanoacetate
- IUPAC
- prop-2-enyl 2-cyanoacetate
- 영어명
- Allyl cyanoacetate
- 분자식
- C6H7NO2
- 분자량
- 125.13
이름 및 동의어
Allyl cyanoacetate13361-32-5Cyanoacetic Acid Allyl EsterAcetic acid, cyano-, 2-propenyl esterCyanoacetic acid, allyl esterprop-2-en-1-yl 2-cyanoacetateEINECS 236-423-4BRN 19058186A64N945D8ACETIC ACID, CYANO-, ALLYL ESTERDTXSID1065425Acetic acid, 2-cyano-, 2-propen-1-yl ester
이름 더 보기
Allyl Cyanoacetate >Allyl cyanoacetate 98%Prop-2-enylcyanoacetatecyano-aceticaciallylestercyano-aceticaci2-propenylesterALLYL CYANOACETATE FOR SYNTHESIS
EC 236-423-4RefChem:554856DTXCID8034160236-423-4allyl 2-cyanoacetateALLYLCYANOACETATEprop-2-enyl 2-cyanoacetateMFCD00013817
데이터베이스 식별자
- CAS
13361-32-5- PubChem CID
- 25919
- DTXSID
DTXSID1065425- UNII
- 6A64N945D8
- EC Number
- 236-423-4
- Nikkaji
- J24.726J
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 50.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 154
물리화학적 성질
- 녹는점
- -40 °C · -40.0°C
- 끓는 점
- 110 °C20 · 110 °C20 mm Hg(lit.)
- 밀도
- 1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
- 증기압
- 0.05 hPa · 0.05 hPa
- 굴절률
- 20 · n20/D 1.443(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 산도 계수 (pKa)
- 3.79 · 3.79±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.065 · 1.065
- InChI
- 1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2
- InChIKey
- WXKCRCGKCOKJEF-UHFFFAOYSA-N
- SMILES
- C=CCOC(=O)CC#N
- EPA
- 2 · Acetic acid, cyano-, 2-propenyl ester (13361-32-5)
화학적 성질
Liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (71.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (73.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (73.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (71.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+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 56 reports by companies from 6 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.
유해성 정보
Regulatory Information
Status: Active Update: 10-06-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11255
Allyl cyanoacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 4 (71.4%)；Skin Irrit. 2 (73.2%)；Eye Irrit. 2A (73.2%)；Acute Tox. 4 (71.4%)；STOT SE 3 (71.4%)
규제 정보
Regulatory Information
Status: Active Update: 10-06-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11255
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetic acid, 2-cyano-, 2-propen-1-yl ester: ACTIVE
응용 분야
용도Allyl cyanoacetate is an intermediate for special adhesives. Product Data Sheet
상·하류 제품 정보
하류 제품
공급사80 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南京迪恩赛尔生物科技有限公司19951952469 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司
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