테트라부틸암모늄염화물수화물

Tetrabutylammonium chloride hydrate

HCID 16212273

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 37451-68-6
표준 SMILES: CCCC[N+](CCCC)(CCCC)CCCC.O.[Cl-]
InChIKey: FODWRUPJCKASBN-UHFFFAOYSA-M
분자식: C16H38ClNO
평균 분자량: 295.9 g/mol
단동위원소 질량: 295.26419252

이름 및 식별자

우선 이름: Tetrabutylammonium chloride hydrate
IUPAC: tetrabutylazanium;chloride;hydrate
현지명: 테트라부틸암모늄염화물수화물
영어명: Tetrabutyl ammonium chloride hydrate
분자식: C16H38ClNO
분자량: 295.94

이름 및 동의어

Tetrabutylammonium chloride hydrate37451-68-688641-55-8Tetrabutylammonium chloride monohydrateRefChem:896746621-333-3670-485-7Tetrabutyl ammonium chloride hydrateTetrabutyl ammonium chloride xhydratetetrabutylazanium;chloride;hydrateTetrabutylammonium chloride xhydrateC16H38ClNO

이름 더 보기

테트라부틸암모늄염화물수화물TBA chlorideTetrabutylammoniumchlorideH2OTetrabutylammonium chloride hydateTetrabutylammonium chloride dihydrateTETRABUTYLAMMONIUM CHLORIDE, MONOHYDRATETETRABUTYLAMMONIUM CHLORIDE, HYDRATE 98%TETRABUTYLAMMONIUM CHLORIDE, HYDRATE 98%

TETRA-N-BUTYLAMMONIUM CHLORIDE HYDRATETetrabutylammoniumchloridehydrateMFCD001499701-Butanaminium, N,N,N-tributyl-, chloride, monohydrateBu4NCl.H2On-Bu4NCl.H2OSCHEMBL202211tetrabutylazanium:chloride:hydrate

데이터베이스 식별자

CAS: 37451-68-6、88641-55-8
PubChem CID: 16212273
DTXSID: DTXSID601354147
EC Number: 621-333-3、670-485-7

물성

구조 계산 물성

극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 12
무거운 원자 수: 19
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 41 · 41-44 °C(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 저융점 고체
색상: 회백색
수용성: 찬물에 용해됩니다.
BRN: 3765327 · 3765327
InChI: InChI=1S/C16H36N.ClH.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;1H2/q+1;;/p-1
InChIKey: FODWRUPJCKASBN-UHFFFAOYSA-M
SMILES: [N+](CCCC)(CCCC)(CCCC)CCCC.[Cl-].O

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 72 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: Yes
HS 번호: 29239000
risk_code: 36/37/38-36/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 3-10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Tetra-n-butylammonium chloride hydrate is used with phosphorus pentoxide for greener deoxychlorination. It is used as a phase transfer catalyst for the preparation of 2-(3-pyridyl)-1-methylpyrrole by the reaction between 3-bromopyridine and 1-methyl-2pyrrolecarboxylic acid.