Ethyl 3-amino-4,4,4-trifluoro-2-butenoate

HCID 136209CAS 372-29-2

기본 정보

표준 SMILES: CCOC(=O)C=C(N)C(F)(F)F
InChIKey: NXVKRKUGIINGHD-UHFFFAOYSA-N
분자식: C6H8F3NO2
평균 분자량: 183.13 g/mol
단동위원소 질량: 183.05071316

이름 및 식별자

우선 이름: Ethyl 3-amino-4,4,4-trifluoro-2-butenoate
IUPAC: ethyl 3-amino-4,4,4-trifluorobut-2-enoate

이름 및 동의어

372-29-2Ethyl 3-amino-4,4,4-trifluoro-2-butenoateRefChem:343301ethyl 3-amino-4,4,4-trifluorobut-2-enoate498583-09-8MFCD00068195(E)-Ethyl 3-amino-4,4,4-trifluorocrotonateSCHEMBL713656DTXSID001270040AKOS025243620ethyl 3-amino-4,4,4-trifluorobutenoateDB-049083

이름 더 보기

DB-264958ethyl 4,4,4-trifluoro-3-amino-2-butenoateNS00122421F0014953-amino-4,4,4-trifluoro-2-butenoic acid ethyl ester4,4,4-trifluoro-3-amino-2-butenoic acid ethyl ester

데이터베이스 식별자

CAS: 372-29-2
PubChem CID: 136209
DTXSID: DTXSID001270040
EC Number: 609-360-9、955-032-6

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 52.3 Å²
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

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 3건

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 · 2건

Acute Tox. 4 (88.1%)

Acute Tox. 4 (100%)