기본 정보
- 표준 SMILES
CCOC=Nc1ccccc1- InChIKey
DRDBNKYFCOLNQO-UHFFFAOYSA-N- 분자식
- C9H11NO
- 평균 분자량
- 149.19 g/mol
- 단동위원소 질량
- 149.08406397
이름 및 식별자
- 우선 이름
- Methanimidic acid, N-phenyl-, ethyl ester
- IUPAC
- ethyl N-phenylmethanimidate
- 영어명
- ETHYL N-PHENYLFORMIMIDATE
- 분자식
- C9H11NO
- 분자량
- 149.19
이름 및 동의어
Ethyl N-phenylformimidate6780-49-0ethyl N-phenylmethanimidateEthyl isoformanilideEthylisoformanilideMethanimidic acid, N-phenyl-, ethyl esterEINECS 229-841-3DTXSID9064473RefChem:811560DTXCID2045026229-841-3MFCD00043655
이름 더 보기
ETHYL PHENYLFORMAMIDATEEthyl phenylimidoformateEthylN-Phenylformimidate>ethyl N-phenylmethanimidateEthylN-phenylformimidate,97%Ethyl N-phenylformimidate,99%Ethyl N-phenylformimidate 97%
N-Phenylformimidic Acid Ethyl EsterUNII-RB7GBA83WHEthyl phenylimidoformate #RB7GBA83WHEthyl (E)-N-phenylformimidateAKOS015917282N-Ethoxymethyleneaniline1086256-18-9
데이터베이스 식별자
- CAS
6780-49-0- PubChem CID
- 111236
- DTXSID
DTXSID9064473- UNII
- RB7GBA83WH
- EC Number
- 229-841-3
- Nikkaji
- J264.133J
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 21.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 117
물리화학적 성질
- 끓는 점
- 112 · 112-114 °C (33 mmHg)
- 밀도
- 1.01 · 1.01
- 굴절률
- 1.526 · 1.526-1.528
- 인화점
- 101 · 101-102°C/15mm
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 4 · 4.00±0.50(Predicted)
- 색상
- 무색의
- InChI
- InChI=1S/C9H11NO/c1-2-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3
- InChIKey
- DRDBNKYFCOLNQO-UHFFFAOYSA-N
- SMILES
- C(=NC1=CC=CC=C1)OCC
- EPA
- Methanimidic acid, N-phenyl-, ethyl ester (6780-49-0)
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29221985
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-26
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationMethanimidic acid, N-phenyl-, ethyl ester: ACTIVE
응용 분야
용도Used in preparation of aldehydes from Grignard reagents.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海裕梅医药科技有限公司13661490451 13671802554 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
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