Thiopheneethanamine (HCID 116521)

이름 및 식별자

우선 이름: Thiopheneethanamine
IUPAC: 2-thiophen-2-ylethanamine
영어명: Thiophene-2-ethylamine
분자식: C6H9NS
분자량: 127.21

이름 및 동의어

Thiophene-2-ethylamine2-ThiopheneethanamineThiopheneethanamineThiopheneethylamine64059-34-3Thiophene-1-ethylamineEINECS 264-646-7EINECS 250-196-9EC 250-196-9RefChem:897909DTXSID901059156250-196-9

이름 더 보기

Thiophen-2-ylacetyl chloride2-Thien-2-yLThiopheneEthaMineRARECHEM AL BW 00992-Thiopheneethamine2-Thiopheneethylamin2-ThiophenethylaMine

264-646-730433-91-12-Thiopheneethylamine2-(thiophen-2-yl)ethanamine2-(thiophen-2-yl)ethan-1-amine2-(2-Aminoethyl)thiophene2-(2-Thienyl)ethylamine2-thien-2-ylethanamine

데이터베이스 식별자

CAS: 30433-91-1、64059-34-3
PubChem CID: 116521
DTXSID: DTXSID60952773
ChEMBL: CHEMBL252803
UNII: 7UZ2FP9KDC
EC Number: 250-196-9、264-646-7
Nikkaji: J249.989D

물성

구조 계산 물성

XLogP: 1
극성 표면적: 54.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 65.5

물리화학적 성질

녹는점: 202 °C · 202 °C
끓는 점: 200 · 200-201 °C/750 mmHg (lit.)
밀도: 1.087 g/mL · 1.087 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.551(lit.)
인화점: 190 °F · 190 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO및메탄올에 용해됨
산도 계수 (pKa): 9.47 · 9.47±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.087 · 1.087
색상: 무색~황색
BRN: 106962 · 106962
InChI: 1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
InChIKey: HVLUYXIJZLDNIS-UHFFFAOYSA-N
SMILES: NCCc1cccs1

화학적 성질

A colorless to yellow liquid with unstable properties requiring protection with nitrogen gas. It appears as a light yellow clear liquid, but turns red upon prolonged exposure.

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

유해성 정보

Regulatory InformationStatus: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12301

Hazard Classes and Categories · 2건

Acute Tox. 4 (87.2%)

Skin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
HS 번호: 29339900
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-37/39
포장분류: II
위험 등급: 8
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도[2-(Thiophene-2-yl)ethyl]amine is used in the synthesis of geldanamycin derivatives as HCV replication inhibitors targetting Hsp90.

일반 설명2-Thiopheneethylamine (2-(thiophen-2-yl)ethanamine) is an aromatic amine. It undergoes microwave induced condensation with iminodiacetic acid to form the corresponding piperazine-2,6-dione derivatives. Its effect as a probable substitute to the pyridine ligand on the performance of poly(3-hexylthiophene)/CdSe hybrid solar cells has been investigated.

상·하류 제품 정보

상류 원료

하류 제품

4,5,6,7-Tetrahydrothieno[3,2,c] pyridine hydrochloride 5-(2-아미노에틸)티오펜-2-술폰아미드 Clopidogrel hydrogen sulfate 5,6,7,7a-테트라히드로-5-(트리페닐메틸)티에노[3,2-c]피리디논 2-티에닐아세토니트릴 Thieno[3,2-c]pyridine, 4-(5-chloro-2-thienyl)-4,5,6,7-tetrahydro-

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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