N-시클로헥실라니린

N-Cyclohexylaniline

HCID 74567CAS 1821-36-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc(NC2CCCCC2)cc1
InChIKey: TXTHKGMZDDTZFD-UHFFFAOYSA-N
분자식: C12H17N
평균 분자량: 175.27 g/mol
단동위원소 질량: 175.13609954

이름 및 식별자

우선 이름: N-Cyclohexylaniline
IUPAC: N-cyclohexylaniline
현지명: N-시클로헥실라니린
영어명: N-Cyclohexylaniline
분자식: C12H17N
분자량: 175.27

이름 및 동의어

N-CyclohexylanilineBenzenamine, N-cyclohexyl-CyclohexylphenylamineN-CyclohexylbenzenaminePhenylcyclohexylamineEINECS 217-344-4DTXSID6061997RefChem:163156DTXCID0035792217-344-4TXTHKGMZDDTZFD-UHFFFAOYSA-N1821-36-9

이름 더 보기

N-시클로헥실라니린N-CyclohexyIanilineN1-CYCLOHEXYLANILINEPHENYL CYCLOHEXYLAMINEN-Cyclohexylaniline,98%N-Phenylcyclohexanaminen-cyclohexyl-benzenamin

N-PhenylcyclohexylamineAniline, N-cyclohexyl-Cyclohexylamine, N-phenyl-Cyclohexanamine, N-phenyl-Diphenylamine, ar-hexahydro-cyclohexyl(phenyl)amineMFCD00014284N-Cyclohexyl-Benzenamine

데이터베이스 식별자

CAS: 1821-36-9
PubChem CID: 74567
DTXSID: DTXSID6061997
UNII: 949TFM4PMV
EC Number: 217-344-4
Nikkaji: J68.528C

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 14 · 14-15°C
끓는 점: 191 · 191-192 °C (73 mmHg)
밀도: 0.996 g/mL · 0.996 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.560
인화점: 136 °C · 136 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 5.46 · 5.46±0.20(Predicted)
물리적 상태: 액체
색상: 오렌지 레드
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다.
BRN: 2209864 · 2209864
InChI: InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
InChIKey: TXTHKGMZDDTZFD-UHFFFAOYSA-N
SMILES: C1(NC2CCCCC2)=CC=CC=C1
EPA: N-Cyclohexylaniline (1821-36-9)

화학적 성질

dark brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (74.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 177 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationBenzenamine, N-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.4%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29214900
risk_code: 20/21/22
hazard_code: Xn
safety_code: 23-36/37
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralSkin Irrit. 2STOT SE 3
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, N-cyclohexyl-: ACTIVE

응용 분야

용도N-Cyclohexylaniline has been used as reagent in palladium-catalyzed amination of aromatic bromides. It is also used to produce N-cyclohexyl-N-phenyl-urea at ambient temperature.