2-포르밀티오펜-4-보론산

2-Formylthiophene-4-boronic acid

HCID 11084115

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 175592-59-3
표준 SMILES: O=Cc1cc(B(O)O)cs1
InChIKey: ZCUFJAORCNFWOF-UHFFFAOYSA-N
분자식: C5H5BO3S
평균 분자량: 155.97 g/mol
단동위원소 질량: 156.0052454

이름 및 식별자

우선 이름: 2-Formylthiophene-4-boronic acid
IUPAC: (5-formylthiophen-3-yl)boronic acid
현지명: 2-포르밀티오펜-4-보론산
영어명: 2-Formylthiophene-4-boronic acid
분자식: C5H5BO3S
분자량: 155.97

이름 및 동의어

2-formylthiophene-4-boronic acid175592-59-3(5-formylthiophen-3-yl)boronic Acid5-Formylthiophene-3-boronic acid5-Formylthiophen-3-ylboronic acid(5-formyl-3-thienyl)boronic acidMFCD03002365Boronic acid, B-(5-formyl-3-thienyl)-2-FORMYL-4-THIOPHENEBORONIC ACID5-formyl-3-thiopheneboronic acid5-FORMYLTHIOPHEN-3-BORONIC ACIDSCHEMBL8831

이름 더 보기

2-포르밀티오펜-4-보론산AKOS BRN-0508RARECHEM AH PB 01755-ForMyl-3-thienylboronic acid2-FORMYL-THIENYL-4-BORONIC ACID(2-Formylthien-4-yl)boronic acid(2-Formylthiophen-4-yl)boronic acid

2-formyl-4-thiopheneboronicacid5-Formylthiophen-3-ylboronicacidDTXSID70454556ZCUFJAORCNFWOF-UHFFFAOYSA-N2-formyl thiophene-4-boronic acid5-Formyl-thiophene-3-boronic acidAHA59259SBB066383

데이터베이스 식별자

CAS: 175592-59-3
PubChem CID: 11084115
DTXSID: DTXSID70454556
EC Number: 691-947-4
Nikkaji: J1.085.492J

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

녹는점: 270 · 270-272°C
끓는 점: 395.1 · 395.1±52.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 고체
산도 계수 (pKa): 7.55 · 7.55±0.10(Predicted)
색상: 베이지색
수용성: 물에 약간 용해됩니다.
InChI: 1S/C5H5BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1-3,8-9H
InChIKey: ZCUFJAORCNFWOF-UHFFFAOYSA-N
SMILES: OB(O)c1csc(C=O)c1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (88.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)；Acute Tox. 4 (88.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (88.9%)；STOT SE 3 (97.8%)