4-Aminothiophenol (HCID 14510)

개요

RN given refers to parent cpd

이름 및 식별자

우선 이름: 4-Aminothiophenol
IUPAC: 4-aminobenzenethiol
영어명: 4-Aminothiophenol
분자식: C6H7NS
분자량: 125.19

이름 및 동의어

4-Aminothiophenol1193-02-84-AMINOBENZENETHIOL4-Mercaptoanilinep-AminothiophenolBenzenethiol, 4-amino-p-Aminobenzenethiolp-MercaptoanilineBenzenethiol, p-amino-8X56V0K20XDTXSID1074466RefChem:518321

이름 더 보기

4-Aminothiopheno4-Aminothophenolp-Aminophenylthiolp-amino-benzenethio

DTXCID2033497214-763-44-aminobenzene-1-thiol4-Aminophenyl mercaptanp-Aminophenylmercaptan4-aminothiphenol4-Amino thiophenolMFCD00007880

데이터베이스 식별자

CAS: 1193-02-8
PubChem CID: 14510
DTXSID: DTXSID1074466
UNII: 8X56V0K20X
EC Number: 214-763-4
Nikkaji: J7.450K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 27 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 66.9

실험 및 물리화학적 성질

LogP1.31

물리화학적 성질

녹는점: 37 · 37-42 °C(lit.)
끓는 점: 140 · 140-145 °C16 mm Hg(lit.)
밀도: 1.136 · 1.136 (estimate)
굴절률: 1.4606 · 1.4606 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 7.3 g/L · 7.3g/L
산도 계수 (pKa): 8.74 · 8.74±0.10(Predicted)
물리적 상태: 결정, 플레이크 또는 결정질 덩어리
색상: 황백색에서 갈색까지
수용성: 물과 섞이지 않습니다.
BRN: 906904 · 906904
InChI: 1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
InChIKey: WCDSVWRUXWCYFN-UHFFFAOYSA-N
SMILES: Nc1ccc(S)cc1
NIST: 4 · 4-Aminothiophenol(1193-02-8)
EPA: 4 · 4-Aminothiophenol (1193-02-8)

화학적 성질

yellow crystalline low melting mass

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (16.3%)

안전 데이터

wgk: 3
rtecs: DC0602500
ridadr: UN 3263 8/PG 2
HS 번호: 29309070
risk_code: 34-37
hazard_code: C
safety_code: 26-28-36/37/39-45-25-27
포장분류: III
위험 등급: 8
F 고인화성물질: 10-13-23
위험 참고 사항: Corrosive/Stench
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도4-Aminothiophenol (4-ATP) was employed as bifunctional molecule to functionalize gold nanoparticles (NPs) used in surface-enhanced Raman spectroscopy (SERS) detection of thrombin by protein recognition.

일반 설명4-Aminothiophenol (p-aminothiophenol, PATP) is an aromatic thiol. The self-assembly of silver and gold nano particles which are interconnected with 4-ATP to form metal-molecule-metal sandwich architecture has been characterized by surface enhanced Raman scattering (SERS) using an off-surface plasmon resonance condition. Chemical transformation of PATP to 4,4-dimercaptoazobenzene (DMAB) has been extensively studied.

제조 방법 · 1건

synthesis of 4-aminothiophenol: A mixture of 128 g. of p-chloronitrobenzene and a solution of 480 g. of sodium sulfide nonahydrate in 2 l. of water is heated to reflux for 8 hours. The cooled mixture is extracted with ether to remove a small amount of oil, the remaining aqueous solution is saturated with sodium chloride, and 240 g. of glacial acetic acid is added. The precipitated oil is removed by ether extraction, and the resulting ethereal solution is dried over sodium sulfate and distilled to give 70 g. (69%) of 4-aminothiophenol boiling at 143-146°/17 mm. and melting at 43-45°.