기본 정보
- 표준 SMILES
C=CC(=O)OCC[N+](C)(C)C.[Cl-]- InChIKey
FZGFBJMPSHGTRQ-UHFFFAOYSA-M- 분자식
- C8H16NO2.Cl
- 평균 분자량
- 193.67 g/mol
개요
structure in first source
이름 및 식별자
- 우선 이름
- Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1)
- IUPAC
- trimethyl(2-prop-2-enoyloxyethyl)azanium chloride
- 현지명
- (2-(아크릴로일옥시)에틸)트라이메틸암모늄 클로라이드
- 영어명
- Acryloyloxyethyltrimethyl ammonium chloride
- 분자식
- C8H16ClNO2
- 분자량
- 193.67
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
44992-01-0- PubChem CID
- 162071
- DTXSID
DTXSID2028016- ChEMBL
CHEMBL3186850- UNII
- 2VO170W0XM
- EC Number
- 256-176-6
물성
구조 계산 물성
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 147
실험 및 물리화학적 성질
물리화학적 성질
- 밀도
- 1.132 g/mL · 1.132 g/mL at 25 °C
- 굴절률
- 20 · n20/D 1.478
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- InChI
- InChI=1S/C8H16NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1
- InChIKey
- FZGFBJMPSHGTRQ-UHFFFAOYSA-M
- SMILES
- O(C(=O)C=C)CC[N+](C)(C)C.[Cl-]
- LogP
- -3.1 at · -3.1 at 20℃ and pH7
- EPA
- -2 · Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride (44992-01-0)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 406 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, chloride
Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1) 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)
REACH registered substance: [2-(acryloyloxy)ethyl]trimethylammonium chloride (EC: 256-176-6)
Ethanaminium, N,N,N-trimethyl-2-((1-oxo-2-propenyl)oxy)-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- -
- tsca
- TSCA listed
- 독성
- eye-rbt 100 mL/24H SEV NTIS** OTS0555907
- HS 번호
- 29239000
- risk_code
- 22-37/38-41-43-36
- hazard_code
- Xn
- safety_code
- 26-36/37/39-36/37
- 기존화학 물질
- KE-00222
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
- 스토리지 클래스
- 12 - Non Combustible Liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
Adhesive Manufacturing
Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, chloride (1:1): ACTIVE
응용 분야
용도Acryloyloxyethyltrimethyl ammonium chloride is mainly used in the preparation of flocculants for sludge dewatering, flocculants or dispersants for papermaking, fibre colourants, pigment dispersants and conductive coatings.
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