4-Methyl-3-thiopheneboronic acid

HCID 5083931CAS 177735-11-4

기본 정보

표준 SMILES: Cc1cscc1B(O)O
InChIKey: LVPFZXKLROORIK-UHFFFAOYSA-N
분자식: C5H7BO2S
평균 분자량: 141.99 g/mol
단동위원소 질량: 142.02598086

이름 및 식별자

우선 이름: 4-Methyl-3-thiopheneboronic acid
IUPAC: (4-methylthiophen-3-yl)boronic acid
영어명: 4-Methyl-3-thiopheneboronic acid
분자식: C5H7BO2S
분자량: 141.98

이름 및 동의어

4-Methyl-3-thiopheneboronic acid177735-11-4DTXSID30408156RefChem:525273DTXCID80359008846-629-1(4-methylthiophen-3-yl)boronic Acidboronic acid, b-(4-methyl-3-thienyl)-MFCD040398824-Methylthiophene-3-boronic acid(4-methyl-3-thienyl)boronic acid4-Methyl-3-thienylboronic acid

이름 더 보기

4-Methyl-3-thiopheneboronicaci(4-Methylthien-3-yl)boronic acid4-Methyl-3-thiopheneboronic acid, 98%(4-Methylthiophen-3-yl)dihydroxyborane4-Methyl-3-thienylboronic acid (contains varying amounts of Anhydride)

4-methylthiophen-3-ylboronic acidBoronic acid, (4-methyl-3-thienyl)-SCHEMBL2005134-Methyl-3-thiopheneboronicacidLVPFZXKLROORIK-UHFFFAOYSA-N4-methyl-thiophene 3-boronic acid4-methyl-thiophene-3-boronic acid4-Methyl 3-thiophene boronic acid

데이터베이스 식별자

CAS: 177735-11-4
PubChem CID: 5083931
DTXSID: DTXSID30408156
EC Number: 846-629-1

물성

구조 계산 물성

극성 표면적: 68.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 99

물리화학적 성질

녹는점: 138 · 138-144 °C(lit.)
끓는 점: 302.1 · 302.1±44.0 °C(Predicted)
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 8.33 · 8.33±0.58(Predicted)

화학적 성질

White to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.