(2,3-Difluorophenyl)boronic acid

HCID 2734333CAS 121219-16-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
OB(O)c1cccc(F)c1F
InChIKey
SZYXKFKWFYUOGZ-UHFFFAOYSA-N
분자식
C6H5BF2O2
평균 분자량
157.91 g/mol
단동위원소 질량
158.0350659

이름 및 식별자

우선 이름
(2,3-Difluorophenyl)boronic acid
IUPAC
(2,3-difluorophenyl)boronic acid
영어명
2,3-Difluorophenylboronic acid
분자식
C6H5BF2O2
분자량
157.91

이름 및 동의어

2,3-Difluorophenylboronic acid121219-16-7(2,3-difluorophenyl)boronic AcidDTXSID90370224RefChem:442137DTXCID80321260685-121-22,3-Difluorobenzeneboronic AcidMFCD018631702,3-Difluorophenylboronicacid(2,3-Difluorophenyl)BoranediolBoronic acid, (2,3-difluorophenyl)-
이름 더 보기
2,3-DiflRARECHEM AH PB 01662,3-DifluorophenylboDifluorophenylboronic aci2,3-difluorobenzorbic acid2,3-FLUOROBENZENE BORONIC ACID2,3-Dilfuorophenylboronic acid2,3-Difluorobenzeneboronicacid98%
difluorophenylboronic acidSCHEMBL43842,3 difluorophenyl boronic acid2,3-difluoro phenylboronic acid2,3-difluoro-phenylboronic acid2,3-difluorophenyl boronic acidSCHEMBL293990462,3-difluoro benzeneboronic acid

데이터베이스 식별자

CAS
121219-16-7
PubChem CID
2734333
DTXSID
DTXSID90370224
EC Number
601-759-6、685-121-2
Nikkaji
J720.576G

물성

구조 계산 물성

극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
11

물리화학적 성질

녹는점
95 °C · 95 °C (dec.) (lit.)
끓는 점
274.8 · 274.8±50.0 °C(Predicted)
밀도
1.35 · 1.35±0.1 g/cm3(Predicted)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
메탄올에 용해됨
산도 계수 (pKa)
7.29 · 7.29±0.58(Predicted)

화학적 성질

Off-white to light beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (77.8%): 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, 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 9 reports by companies from 6 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 Categories · 2건

Acute Tox. 4 (11.1%)；Skin Irrit. 2 (88.9%)；Eye Irrit. 2A (88.9%)；STOT SE 3 (77.8%)

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk
3
HS 번호
29163990
risk_code
36/37/38-22
hazard_code
Xn,Xi
safety_code
37/39-26-36/37
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도2,3-Difluorophenylboronic acid is a useful reagent for the preparation of pharmaceutical and biologically active molecules.

상·하류 제품 정보

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]

관련 반응

118건
반응 기록 만들기

연결된 노트

불러오는 중…