2-플루오로-5-(트리플루오로메톡시)페닐붕소산

2-Fluoro-5-(trifluoromethoxy)benzeneboronic acid

HCID 44717610

기본 정보

CAS
881402-22-8
표준 SMILES
OB(O)c1cc(OC(F)(F)F)ccc1F
InChIKey
NGTLLTDDJHXHQE-UHFFFAOYSA-N
분자식
C7H5BF4O3
평균 분자량
223.92 g/mol
단동위원소 질량
224.0267868

이름 및 식별자

우선 이름
2-Fluoro-5-(trifluoromethoxy)benzeneboronic acid
IUPAC
[2-fluoro-5-(trifluoromethoxy)phenyl]boronic acid
현지명
2-플루오로-5-(트리플루오로메톡시)페닐붕소산
영어명
2-Fluoro-5-(trifluoromethoxy)phenylboronic acid
분자식
C7H5BF4O3
분자량
223.92

이름 및 동의어

2-Fluoro-5-(trifluoromethoxy)benzeneboronic acidRefChem:472459640-184-5881402-22-8(2-Fluoro-5-(trifluoromethoxy)phenyl)boronic acid2-FLUORO-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID[2-Fluoro-5-(trifluoromethoxy)phenyl]boronic acidMFCD09027234LIGHTGREENSFYELLOWISHSCHEMBL257822Boronic acid,B-[2-fluoro-5-(trifluoromethoxy)phenyl]-DTXSID90660258
이름 더 보기
2-플루오로-5-(트리플루오로메톡시)페닐붕소산3-Borono-alpha,alpha,alpha,4-tetrafluoroanisole2-Fluoro-5-(trifluoromethoxy)benzeneboronicacid97%2-Fluoro-5-(trifluoromethoxy)benzeneboronic acid 97%Boronic acid, B-[2-fluoro-5-(trifluoromethoxy)phenyl]-
SBB071106AKOS015854342CS-W014228DS-3013BP-11093SY1014042-Fluoro-5-(trifluoromethoxy)benzeneboronic(2-Fluoro-5-(trifluoromethoxy)phenyl)boronicacid

데이터베이스 식별자

CAS
881402-22-8
PubChem CID
44717610
DTXSID
DTXSID90660258
EC Number
640-184-5

물성

구조 계산 물성

극성 표면적
49.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
2
무거운 원자 수
15

물리화학적 성질

끓는 점
279.9 · 279.9±50.0 °C(Predicted)
밀도
1.48 · 1.48±0.1 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa)
7.18 · 7.18±0.58(Predicted)
물리적 상태
가루
색상
흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): 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 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): 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 3 reports by companies from 3 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 (33.3%);Acute Tox. 4 (33.3%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (33.3%);STOT SE 3 (100%)

안전 데이터

HS 번호
2931900090
risk_code
22
hazard_code
Xi,Xn
위험 참고 사항
Irritant

화학 및 산업

공급사44 곳

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]

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