Ethyl isocyanatoacetate
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기본 정보
- CAS
2949-22-6- 표준 SMILES
CCOC(=O)CN=C=O- InChIKey
DUVOZUPPHBRJJO-UHFFFAOYSA-N- 분자식
- C5H7NO3
- 평균 분자량
- 129.11 g/mol
- 단동위원소 질량
- 129.04259309
이름 및 식별자
- 우선 이름
- Ethyl isocyanatoacetate
- IUPAC
- ethyl 2-isocyanatoacetate
- 영어명
- Ethyl Isocyanatoacetate
- 분자식
- C5H7NO3
- 분자량
- 129.11
이름 및 동의어
Ethyl isocyanatoacetate2949-22-6Isocyanatoacetic acid ethyl esterCarbethoxymethyl isocyanateEthoxycarbonylmethyl isocyanateAcetic acid, isocyanato-, ethyl esterIsocyanatoethyl acetateAcetic acid, 2-isocyanato-, ethyl esterEthyl glycolate isocyanateethyl N-(oxomethylene)glycinateNSC 6276EINECS 220-967-4
이름 더 보기
ETHYL 2-ISOCYANATOACETATEEthyl isocyanotoacetateSM-Ⅱ-1Ethyl isocyanacetateEthyl isocynato acetateethylglycolateisocyanate
NSC 56429AI3-52377DTXSID3062738glycine, N-carbonyl-, ethyl esterACETIC ACID,ISOCYANATO,ETHYL ESTERRefChem:138963DTXCID8038011220-967-4
데이터베이스 식별자
- CAS
2949-22-6- PubChem CID
- 76283
- DTXSID
DTXSID3062738- EC Number
- 220-967-4
- Nikkaji
- J208.648D
물성
구조 계산 물성보충 중
- XLogP
- 1.5
- 극성 표면적
- 55.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 137
물리화학적 성질
- 끓는 점
- 67 · 67-68 °C/11 mmHg (lit.)
- 밀도
- 1.151 g/mL · 1.151 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.422(lit.)
- 인화점
- 163 °F · 163 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 물리적 상태
- 액체
- Specific Gravity
- 1.151 · 1.151
- 색상
- 무색의
- 수용성
- 물과 반응합니다.
- BRN
- 970503 · 970503
- InChI
- InChI=1S/C5H7NO3/c1-2-9-5(8)3-6-4-7/h2-3H2,1H3
- InChIKey
- DUVOZUPPHBRJJO-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)CN=C=O
- EPA
- Acetic acid, isocyanato-, ethyl ester (2949-22-6)
화학적 성질
Clear colorless liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (98%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 10 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
Hazard Classes and CategoriesAcute Tox. 4 (96%)；Skin Irrit. 2 (96%)；Skin Sens. 1 (88%)；Eye Irrit. 2 (98%)；Resp. Sens. 1 (98%)；STOT SE 3 (96%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AI4450000
- ridadr
- 2206
- HS 번호
- 29291000
- risk_code
- 36/37/38-42
- hazard_code
- Xn,Xi
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetic acid, 2-isocyanato-, ethyl ester: ACTIVE
응용 분야
용도Ethyl isocyanate is a carboxylate organic compound and can be used in various chemial synthesis.Ethyl isocyanatoacetate has been used in the preparation of:6-(carboxymethylureido)-(±)-nicotine (CMUNic), nicotine immunogenethyl 8-carbamoyl-4-oxo-3,4-dihydroimidazo[5,1-d]-1,2,3,5-tetrazin-3-ylacetateimidazo[1,2-c]-quinazoline-2,5-(3H,6H)dione
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하류 제품
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