(4-Formylthiophen-3-yl)boronic acid

HCID 4190637CAS 4347-32-4

기본 정보

표준 SMILES: O=Cc1cscc1B(O)O
InChIKey: LVLCWVAVXNPOFF-UHFFFAOYSA-N
분자식: C5H5BO3S
평균 분자량: 155.97 g/mol
단동위원소 질량: 156.00524542

이름 및 식별자

우선 이름: (4-Formylthiophen-3-yl)boronic acid
IUPAC: (4-formylthiophen-3-yl)boronic acid
영어명: Furan-2-boronic acid
분자식: C5H5BO3S
분자량: 155.97

이름 및 동의어

(4-formylthiophen-3-yl)boronic AcidRefChem:402866695-551-24347-32-43-FORMYL-4-THIOPHENEBORONIC ACID3-FORMYLTHIOPHENE-4-BORONIC ACID4-formylthiophen-3-ylboronic acidMFCD01319006(4-FORMYL-3-THIENYL)BORONIC ACIDBoronic acid, (4-formyl-3-thienyl)-4-formyl-3-thienylboronic acidSCHEMBL1129009

이름 더 보기

AKOS 90301AKOS BRN-02642-FURYLBORONIC ACIDTIMTEC-BB SBB004326RARECHEM AH PB 0174RARECHEM AH PB 0259Furan-2-boronic acid2-FURANYLBORONIC ACID3-Formyl-4-thiopheneboronicaci

DTXSID00400581LVLCWVAVXNPOFF-UHFFFAOYSA-N(4-formylthiophen-3-yl)boronicAcidAKOS005256474AB08820AT16895BS-22548DB-051090

데이터베이스 식별자

CAS: 4347-32-4
PubChem CID: 4190637
DTXSID: DTXSID00400581
EC Number: 695-551-2
Nikkaji: J3.327.983C

물성

구조 계산 물성

극성 표면적: 85.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 130

물리화학적 성질

끓는 점: 381.2 · 381.2±52.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): 7.91 · 7.91±0.53(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.