CAS 39905-57-2 4-Hexyloxyaniline (HCID 38360)

개요

4-Hexyloxyaniline is an aromatic ether and a substituted aniline.

이름 및 식별자

우선 이름: 4-Hexyloxyaniline
IUPAC: 4-hexoxyaniline
영어명: p-Hexyloxyaniline
분자식: C12H19NO
분자량: 193.29

이름 및 동의어

4-(Hexyloxy)aniline4-Hexyloxyaniline39905-57-2Benzenamine, 4-(hexyloxy)-DTXSID4022288VMX449YP3LDTXCID202288RefChem:523610254-696-8p-Hexyloxyaniline4-hexoxyaniline4-n-Hexyloxyaniline

이름 더 보기

AKOS BBB/081(p-hexyloxy)-anilinTIMTEC-BB SBB0079564-HEXYLOXYANILINE 99%4-Hexyloxyaniline,99%Aniline, (p-hexyloxy)-4-(hexyloxy)phenylamine

MFCD000078684-hexyloxyphenylamine4-(n-Hexyloxy)aniline(4-hexoxy-phenyl)-amine[4-(hexyloxy)phenyl]amine4-(Hexyloxy)aniline, 99%SCHEMBL654792SCHEMBL2094736

데이터베이스 식별자

CAS: 39905-57-2
PubChem CID: 38360
DTXSID: DTXSID4022288
ChEMBL: CHEMBL3183372
ChEBI: CHEBI:192660
UNII: VMX449YP3L
EC Number: 254-696-8
Nikkaji: J236.495F

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 14
형식 전하: 0
복잡도: 130

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

Physical DescriptionOff-white powder; [Sigma-Aldrich MSDS]

Collision Cross Section167.4 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4022288]

물리화학적 성질

녹는점: 43 · 43-45 °C(lit.)
끓는 점: 155 · 155-158 °C5 mm Hg(lit.)
밀도: 0.9854 · 0.9854 (rough estimate)
굴절률: 1.4596 · 1.4596 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 5.26 · 5.26±0.10(Predicted)
색상: 흰색에서 갈색으로
InChI: 1S/C12H19NO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10,13H2,1H3
InChIKey: DJRKHTCUXRGYEU-UHFFFAOYSA-N
SMILES: CCCCCCOc1ccc(N)cc1
EPA: 4 · Benzenamine, 4-(hexyloxy)- (39905-57-2)

화학적 성질

brown crystalline mass

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryAn irritant; May induce methemoglobinemia; Toxic by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: BY2308000
ridadr: 2811
독성: mouse,LD50,oral,500mg/kg (500mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947.
HS 번호: 29221990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-28-36/37/39-45
포장분류: III
위험 등급: 6.1(b)
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-(hexyloxy)-: INACTIVE

응용 분야

용도4-(Hexyloxy)aniline was used in the synthesis of 4-hydroxy-4′-hexyloxyazobenzene.

상·하류 제품 정보

상류 원료

N-[4-(헥실옥시)페닐]아세트아미드 클로로헥산 요오드헥산(1-)1-브로모헥산 아세트아미노펜 p-니트로페놀 4-아미노페놀 4-니트로페놀소다염(2수화물)

하류 제품

4-N-헥실옥시니트로벤젠

공급사69 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

화합물 노트

불러오는 중…

4-Hexyloxyaniline

기본 정보

개요