4-(2-Thienyl)Butyric Acid (HCID 78386)

개요

4-(2-thienyl)butyric acid is a monocarboxylic acid that is butyric acid bearing a 2-thienyl group at position 4. It has a role as a hapten. It is a monocarboxylic acid and a member of thiophenes. It is functionally related to a butyric acid.

이름 및 식별자

우선 이름: 4-(2-Thienyl)Butyric Acid
IUPAC: 4-thiophen-2-ylbutanoic acid
영어명: 4-(2-THIENYL)BUTYRIC ACID
분자식: C8H10O2S
분자량: 170.23

이름 및 동의어

4-(2-Thienyl)butyric acid4653-11-62-Thiophenebutanoic acid4-(2-Thienyl)butanoic acidCHEBI:40114VLB4C9G6WYDTXSID70196868RefChem:970894-TByADTXCID10119359225-090-04-(thiophen-2-yl)butanoic acid

이름 더 보기

4-(2-thienyl)butyricaciThiophene-2-butanoic acid2-(2-THIENYL)BUTYRIC ACID4-(2-Thienyl)butyricacid,98+%4-(2-Thienyl)butyric acid, GC 97%

4-thiophen-2-ylbutanoic acid2-Thiophenebutyric acid4-Thiophen-2-yl-butyric acidMFCD000054634-thien-2-ylbutanoic acid4-(2-thienyl)-butyric acidgamma-(alpha-thienyl)butyricacid4-(2-Thienyl)butyric acid, 98%

데이터베이스 식별자

CAS: 4653-11-6
PubChem CID: 78386
DTXSID: DTXSID70196868
ChEMBL: CHEMBL1230333
ChEBI: CHEBI:40114
UNII: VLB4C9G6WY
EC Number: 225-090-0
Nikkaji: J205D

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 13.5 · 13.5-15 °C
끓는 점: 122 °C · 122°C 0,3mm
밀도: 1.169 g/mL · 1.169 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.532(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 4.71 · 4.71±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.169 · 1.1690
색상: 맑은 약간 갈색
BRN: 127982 · 127982
InChI: 1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)
InChIKey: VYTXLSQVYGNWLV-UHFFFAOYSA-N
SMILES: OC(=O)CCCc1cccs1

화학적 성질

CLEAR SLIGHTLY BROWNISH LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.8%): 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 45 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 CategoriesSkin Irrit. 2 (97.8%)

안전 데이터

wgk: 3
HS 번호: 29309099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도2-Thiophenebutanoic Acid is used to prepare cell-penetrating peptide α-keto-amide calpain inhibitors as potential treatment for muscular dystrophy. it is also used to prepare isochroman carboxylic acid derivatives as potential anti-diabetic agents.

상·하류 제품 정보

상류 원료

하류 제품

4,5,6,7-테트라하이드로-1-벤조티오펜

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

추가 설명

정의ChEBI: A monocarboxylic acid that is butyric acid bearing a 2-thienyl group at position 4.

연결된 노트

불러오는 중…

4-(2-Thienyl)Butyric Acid

기본 정보

개요