2-티오펜카복실산 하이드라자이드

Thiophene-2-carbohydrazide

HCID 73098CAS 2361-27-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NNC(=O)c1cccs1
InChIKey: SOGBOGBTIKMGFS-UHFFFAOYSA-N
분자식: C5H6N2OS
평균 분자량: 142.18 g/mol
단동위원소 질량: 142.02008381

개요

structure in first source

이름 및 식별자

우선 이름: Thiophene-2-carbohydrazide
IUPAC: thiophene-2-carbohydrazide
현지명: 2-티오펜카복실산 하이드라자이드
영어명: 2-Thiophenecarboxylic acid hydrazide
분자식: C5H6N2OS
분자량: 142.18

이름 및 동의어

Thiophene-2-carbohydrazide2361-27-5Thiophene-2-carboxylic acid hydrazide2-Thiophenecarboxylic acid, hydrazideW4J3WEF93NNSC-653DTXSID80178271RefChem:189615DTXCID10100762219-107-02-Thiophenecarboxylic acid hydrazide2-Thenoylhydrazine

이름 더 보기

2-티오펜카복실산하이드라자이드2-티오페넨카복실릭 하이드라진THENOIC HYDRAZIDEAKOS BBS-00004097LABOTEST-BB LT00772322hiophene-2-carbohydrazide2-Thiophenecarbonyl hydrazideThiophene-2-carbohydrazide 98%

2-ThiophenecarbohydrazideThiophene-2-carboxylic hydrazide2-Thiophenecarboxylic hydrazideMFCD000054352-Thiophenecarbohydrazonic acid2-Thiophenecarboxylicacidhydrazide2-Thienylcarboxylic acid hydrazide2-Thenoic hydrazide

데이터베이스 식별자

CAS: 2361-27-5
PubChem CID: 73098
DTXSID: DTXSID80178271
ChEMBL: CHEMBL3091844
UNII: W4J3WEF93N
EC Number: 219-107-0
Nikkaji: J170H

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 83.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 118

물리화학적 성질

녹는점: 136 · 136-139 °C(lit.)
밀도: 1.291 · 1.291 (estimate)
굴절률: 1.643 · 1.6430 (estimate)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태: 결정성 분말
산도 계수 (pKa): 12.43 · 12.43±0.10(Predicted)
색상: 약간 노란색~베이지색
BRN: 114437 · 114437
InChI: 1S/C5H6N2OS/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
InChIKey: SOGBOGBTIKMGFS-UHFFFAOYSA-N
SMILES: NNC(=O)c1cccs1
NIST: 2 · 2-Thiophenecarboxylic acid, hydrazide(2361-27-5)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98%): 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Thiophenecarboxylic acid hydrazide features a planar molecular structure with cis-oriented torsion angles of less than 10° and serves as a ligand for transition metal complexes involving manganese, cobalt, nickel, copper, zinc, cadmium, palladium, and ruthenium[1]. The compound reacts with isatin in ethanol under reflux to synthesize 2-thiophenecarbonylhydrazone-3-isatin[2].