에틸3-아미노-4,4,4-트리플루오로크로토네이트
Ethyl 3-amino-4,4,4-trifluorocrotonate
기본 정보
- CAS
372-29-2- 표준 SMILES
CCOC(=O)/C=C(\N)C(F)(F)F- InChIKey
NXVKRKUGIINGHD-ARJAWSKDSA-N- 분자식
- C6H8F3NO2
- 평균 분자량
- 183.13 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 3-amino-4,4,4-trifluorocrotonate
- IUPAC
- ethyl (Z)-3-amino-4,4,4-trifluorobut-2-enoate
- 현지명
- 에틸3-아미노-4,4,4-트리플루오로크로토네이트
- 영어명
- Ethyl 3-amino-4,4,4-trifluorocrotonate
- 분자식
- C6H8F3NO2
- 분자량
- 183.13
이름 및 동의어
Ethyl 3-amino-4,4,4-trifluorocrotonateRefChem:594832609-360-92-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester141860-78-8ethyl 3-amino-4,4,4-trifluorobut-2-enoateethyl (Z)-3-amino-4,4,4-trifluorobut-2-enoate3-Amino-4,4,4-trifluorocrotonic Acid Ethyl Esterethyl (2Z)-3-amino-4,4,4-trifluorobut-2-enoate2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester, (2Z)-ethyl-3-amino-4,4,4-trifluorocrotonateethyl 3-amino-4,4,4-trifluoro-but-2-enoate
이름 더 보기
에틸3-아미노-4,4,4-트리플루오로크로토네이트Ethyl 3-amino-4,4,4-trifluorocrototeEthyl 3-amino-4trifluorocrotonate4-trifluorocrotonateethyl 3-amino-4,4,4-trifluro crotonate3-Amino-4,4,4-trifluorobutenoate ethylEthyl3-amino-4,4,4-trifluorocrotonate97%ETHYL 3-AMINO-4,4,4-TRIFLUORO-2-BUTENOATE
(Z)-3-Amino-4,4,4-trifluorocrotonic acid ethyl esterCS-W0170643-amino-4,4,4-trifluorocrotonic ethyl esterEN300-841679F-023(Z)-ethyl 3-amino-4,4,4-trifluorobut-2-enoateMFCD00068195ethyl (Z)-3-amino-4,4,4-trifluoro-but-2-enoate
데이터베이스 식별자
- CAS
372-29-2- PubChem CID
- 5702529
- EC Number
- 609-360-9、955-032-6
- Nikkaji
- J1.164.176H、J672.561I
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 52.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 197
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 26 °C · 26°C
- 끓는 점
- 83 °C15 · 83 °C15 mm Hg(lit.)
- 밀도
- 1.245 g/mL · 1.245 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.424(lit.)
- 인화점
- 149 °F · 149 °F
- 저장 조건
- 2 · 2-8°C(protect from light)
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 무색~담황색 저융점~반고체
- 산도 계수 (pKa)
- 0.76 · 0.76±0.70(Predicted)
- 색상
- White or Colorless to Light yellow
- BRN
- 4397839 · 4397839
- InChI
- 1S/C6H8F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h3H,2,10H2,1H3
- InChIKey
- NXVKRKUGIINGHD-ONEGZZNKSA-N
- SMILES
- CCOC(=O)C=C(N)C(F)(F)F
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (1 of 59) of reports.
Danger
H302 (88.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, 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 59 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (88.1%)
Acute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3259
- HS 번호
- 2922499990
- risk_code
- 20/21/22-36/37
- hazard_code
- Xn,T,Xi
- safety_code
- 26-36-36/37
화학 및 산업
용도 및 제조
U.S. Production2023: 700,000 - <850,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
2-Butenoic acid, 3-amino-4,4,4-trifluoro-, ethyl ester: ACTIVE
응용 분야
용도Ethyl 3-amino-4,4,4-trifluorocrotonate is used as building block in chemical synthesis. Attributes Development Product Contact
상·하류 제품 정보
상류 원료
관련 반응
75건
화합물 노트
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