CAS 338454-45-8 5-Hydroxymethylthiophene-2-boronic acid (HCID 4374265)

기본 정보

CAS: 338454-45-8
표준 SMILES: OCc1ccc(B(O)O)s1
InChIKey: IVBZNXLSUVVBCY-UHFFFAOYSA-N
분자식: C5H7BO3S
평균 분자량: 157.99 g/mol
단동위원소 질량: 158.0208954

이름 및 식별자

우선 이름: 5-Hydroxymethylthiophene-2-boronic acid
IUPAC: [5-(hydroxymethyl)thiophen-2-yl]boronic acid
영어명: 5-Hydroxymethylthiophene-2-boronic acid
분자식: C5H7BO3S
분자량: 157.98

이름 및 동의어

338454-45-85-HYDROXYMETHYLTHIOPHENE-2-BORONIC ACID(5-(Hydroxymethyl)thiophen-2-yl)boronic acid[5-(hydroxymethyl)thiophen-2-yl]boronic AcidMFCD030953705-(HYDROXYMETHYL)THIOPHEN-2-YLBORONIC ACID5-(Hydroxymethyl)thiophene-2-boronic acid[5-(HYDROXYMETHYL)-2-THIENYL]BORONIC ACIDAKOS006276373CS-W019041(5-(Hydroxymethyl)thiophen-2-yl)boronicacidBoronic acid, [5-(hydroxymethyl)-2-thienyl]-

이름 더 보기

5-(hydroxymethyl)thiophen-2-yl]boronicaci5-(Hydroxymethyl)thiophene-2-boronic aicd5-(hydroxymethyl)thiophen-2-yl-2-boronic acid5-Hydroxymethylthiophene-2-boronic acid, >=98%Boronic acid, B-[5-(hydroxymethyl)-2-thienyl]-(5-(Hydroxymethyl)thiophen-2-yl)boronic acid(contains varying amounts of Anhydride)

5-Hydroxymethylthiophene-2-boronicAcidSCHEMBL177379DTXSID404025645-hydroxymethylthien-2-ylboronic acidAB13725AC-33476DS-12667SY033252

데이터베이스 식별자

CAS: 338454-45-8
PubChem CID: 4374265
DTXSID: DTXSID40402564

물성

구조 계산 물성

극성 표면적: 88.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 111

물리화학적 성질

끓는 점: 399.9 · 399.9±52.0 °C(Predicted)
밀도: 1.42 · 1.42±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 8.42 · 8.42±0.53(Predicted)