기본 정보
- CAS
593-81-7- 표준 SMILES
CN(C)C.Cl- InChIKey
SZYJELPVAFJOGJ-UHFFFAOYSA-N- 분자식
- C3H9N.ClH
- 평균 분자량
- 95.57 g/mol
- 단동위원소 질량
- 95.050177
개요
Trimethylamine hydrochloride is a hydrochloride salt formed by reaction of equimolar amounts of trimethylamine and hydrogen chloride. It contains a trimethylammonium.
이름 및 식별자
- 우선 이름
- Trimethylamine Hydrochloride
- IUPAC
- N,N-dimethylmethanamine;hydrochloride
- 현지명
- 트리메틸아민 하이드로클로라이드
- 영어명
- Trimethylamine hydrochloride
- 분자식
- C3H10ClN
- 분자량
- 95.57
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
593-81-7- PubChem CID
- 10313079
- DTXSID
DTXSID5027229- ChEMBL
CHEMBL450057- ChEBI
CHEBI:64700- UNII
- UW38SRM77K
- EC Number
- 209-810-0
물성
구조 계산 물성
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 8
실험 및 물리화학적 성질
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
물리화학적 성질
- 녹는점
- 283 · 283-284 °C (dec.)(lit.)
- 끓는 점
- 132.32 °C · 132.32°C (rough estimate)
- 밀도
- 0.9337 · 0.9337 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.4413 · 1.4413 (estimate)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 쉽게 용해됨
- 물리적 상태
- 결정성 분말
- 색상
- 흰색에서 약간 크림색
- 수소이온지수(pH)
- 5 · 5 (100g/l, H2O, 20℃)
- 수용성
- 녹는
- Merck
- 14 · 14,9710
- BRN
- 3905063 · 3905063
- 안정성
- 흡습성
- InChI
- 1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H
- InChIKey
- SZYJELPVAFJOGJ-UHFFFAOYSA-N
- SMILES
- Cl[H].CN(C)C
- LogP
- -2.25 at · -2.25 at 25℃
- NIST
- Methanamine,n,n-dimethyl-,hydrochloride(593-81-7)
- EPA
- Trimethylamine hydrochloride (593-81-7)
화학적 성질
white to slightly cream crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 16.6% (42 of 253) of reports.
Warning
H315 (83.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 253 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Methanamine, N,N-dimethyl-, hydrochloride
Commission Regulation (EC) No 2229/2004
2008/127, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
Status: Active Update: 19-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14311
Trimethylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (83.4%)
Acute toxicity (inhalation) - category 4
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- YH2700000
- 독성
- LD50 orally in Rabbit: 3090 mg/kg
- HS 번호
- 29211190
- risk_code
- 36/37/38-38-36
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 기존화학 물질
- KE-34402
- F 고인화성물질
- 3-10
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 593-81-7(Hazardous Substances Data)
화학 및 산업
약리 정보
용도 및 제조
Uses
Used as an insect attractant and to make quaternary ammonium compounds; [HSDB] Formed in the stomach from ingestion of trimethylamine which is found naturally in foods; [IUCLID]
IN MANUFACTURE OF QUATERNARY AMMONIUM COMPOUNDS; AS INSECT ATTRACTANT;
CAPTIVE CHEM INT
응용 분야
용도Trimethylamine hydrochloride is used in the manufacture of quaternary ammonium compounds, as insect attractant. It is also used as a raw material for the synthesis of choline chloride and ion exchange resins. Additionally, It acts as a cationic starch reagent, phase transfer catalyst, oil field chemicals, warning agent for natural gas and flotation agent.
제조 방법
Trimethylamine hydrochloride can be synthesized through the reaction of trimethylamine (TMA) and hydrochloric acid (HCl). The synthesis reaction can be written as follows:C3H9N+ HCl → C3H10ClNThe following steps are involved in obtaining trimethylamine hydrochloride:Step 1: Evaporation of hydrochloric acid solution The hydrochloric acid solution is evaporated, first over a free flame, and later on a steam bath. This process results in concentration of the solution, which aids in the formation of trimethylamine hydrochloride crystals.Step 2: Crystal formation and filtration As the solution becomes more and more concentrated, the trimethylamine hydrochloride crystals begin to form. The crystals are filtered periodically to remove them from the solution.Step 3: Drying The filtered crystals are dried in an air bath for a few minutes, with a temperature range of 100-110°.Step 4: Storage The air-dried crystals are then stored in a tightly closed bottle.Step 5: Centrifugation (optional) If the trimethylamine hydrochloride crystals are centrifuged, the product is obtained pure and dry.Overall, four runs yield an average of 710 g of pure trimethylamine hydrochloride and 82 g of slightly yellow-tinted product. This yield is equivalent to 89% of the theoretical amount based on ammonium chloride. The slight yellow coloration results from the evaporation of the last traces of solution.DOI: 10.15227/orgsyn.001.0079
상·하류 제품 정보
상류 원료
하류 제품
공급사102 곳
추가 설명
정의ChEBI: Trimethylamine hydrochloride is a hydrochloride salt formed by reaction of equimolar amounts of trimethylamine and hydrogen chloride. It contains a trimethylammonium.
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