기본 정보
- 표준 SMILES
CCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]- InChIKey
TTZLKXKJIMOHHG-UHFFFAOYSA-M- 분자식
- C19H34ClN
- 평균 분자량
- 311.9 g/mol
- 단동위원소 질량
- 311.2379778
이름 및 식별자
- 우선 이름
- C8-18-Alkydimethylbenzyl ammonium chlorides
- IUPAC
- benzyl-decyl-dimethylazanium chloride
- 현지명
- 벤질데실디메틸암모늄염화물
- 영어명
- Benzyldecyldimethylammonium chloride
- 분자식
- C19H34ClN
- 분자량
- 311.93
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
63449-41-2、965-32-2- PubChem CID
- 13762
- DTXSID
DTXSID7040780- ChEMBL
CHEMBL1878297- EC Number
- 213-521-5
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 216
물리화학적 성질
- 녹는점
- 50 · 50-60 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- BRN
- 3578562 · 3578562
- 안정성
- 흡습성
- InChI
- 1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1
- InChIKey
- TTZLKXKJIMOHHG-UHFFFAOYSA-M
- SMILES
- [Cl-].CCCCCCCCCC[N+](C)(C)Cc1ccccc1
- EPA
- Benzenemethanaminium, N-decyl-N,N-dimethyl-, chloride (965-32-2)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 3 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
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 3-10
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
응용 분야
용도Benzyldimethyldecylammonium chloride may be used as an analytical reference standard for the determination of the analyte in grapefruit seed extracts, milk samples and food products by chromatography based techniques.
일반 설명Benzyldimethyldecylammonium chloride belongs to the benzalkonium (BAC) group of quaternary ammonium compounds (QACs). It is widely used as an antibacterial and antifungal agent for disinfection purposes.
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