CAS 100124-06-9 Dibenzofuran-4-boronic acid (HCID 2734328)

기본 정보

CAS: 100124-06-9
표준 SMILES: OB(O)c1cccc2c1oc1ccccc12
InChIKey: ZXHUJRZYLRVVNP-UHFFFAOYSA-N
분자식: C12H9BO3
평균 분자량: 212.01 g/mol
단동위원소 질량: 212.06447455

이름 및 식별자

우선 이름: Dibenzofuran-4-boronic acid
IUPAC: dibenzofuran-4-ylboronic acid
현지명: 디 벤조 푸란 -4- 보론 산
영어명: Dibenzofuran-4-boronic acid
분자식: C12H9BO3
분자량: 212.01

이름 및 동의어

Dibenzofuran-4-boronic acid100124-06-9DTXSID40370219RefChem:337253DTXCID30321255672-293-9dibenzo[b,d]furan-4-ylboronic acid4-Dibenzofuranboronic acid4-(Dibenzofuranyl)Boronic Aciddibenzofuran-4-ylboronic acidBoronic acid, B-4-dibenzofuranyl-MFCD00092336

이름 더 보기

디벤조푸란-4-보론산B-4-디벤조푸라닐붕산DIBENZOFURAN-4-붕소산DBF-BD2420G1AKOS BRN-00854-(DibenzofuranyLTIMTEC-BB SBB003426RARECHEM AH PB 0052

dibenzo(b,d)furan-4-ylboronic acid4-dibenzofuranylboronic acidBoronic acid, 4-dibenzofuranyl-4-dibenzofurylboronic acidDibenzofuran-4-boronicacidBoronic acid, B-4-dibenzofuranyl-;4-Dibenzofuranboronic acidFRBA4-dibenzofuran boronic acid

데이터베이스 식별자

CAS: 100124-06-9
PubChem CID: 2734328
DTXSID: DTXSID40370219
EC Number: 672-293-9
Nikkaji: J2.235.031E

물성

구조 계산 물성

극성 표면적: 53.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 259

물리화학적 성질

녹는점: 286 · 286-291 °C (lit.)
끓는 점: 438.5 · 438.5±37.0 °C(Predicted)
밀도: 1.34 · 1.34±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 8.04 · 8.04±0.30(Predicted)
물리적 상태: 가루
색상: 흰색에서 황백색까지
BRN: 1645426 · 1645426
InChI: InChI=1S/C12H9BO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
InChIKey: ZXHUJRZYLRVVNP-UHFFFAOYSA-N
SMILES: B(C1=C2C(=CC=C1)C1=CC=CC=C1O2)(O)O

화학적 성질

off-white to beige powder

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)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: No
HS 번호: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
위험 등급: IRRITANT
스토리지 클래스: 13 - Non Combustible Solids
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: B-4-디벤조푸라닐붕산 및 이를 25% 이상 함유한 혼합물
유해화학물질 필터링: 2018-1-842(신규화학물질)

화학 및 산업

응용 분야 · 1건

용도Dibenzofuran-4-boronic acid is a water-soluble boronic acid, and the boronic acid molecule is a very useful functional group for the preparation of glycosensors. Water-soluble boronic acids that change their fluorescence properties upon binding to sugars are particularly useful as reporter units for carbohydrate fluorescence sensors. Dibenzofuran-4-boronic acid displays distinctive fluorescence changes at three wavelengths when bound to sugars under near-physiological conditions[1].