4-Fluoro-1,3-dihydroxybenzene

HCID 10558640

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 103068-41-3
표준 SMILES: Oc1ccc(F)c(O)c1
InChIKey: XPOIJNIQXJYQOV-UHFFFAOYSA-N
분자식: C6H5FO2
평균 분자량: 128.1 g/mol
단동위원소 질량: 128.02735756

이름 및 식별자

우선 이름: 4-Fluoro-1,3-dihydroxybenzene
IUPAC: 4-fluorobenzene-1,3-diol
영어명: 4-Fluoro-1,3-benzenediol
분자식: C6H5FO2
분자량: 128.1

이름 및 동의어

4-Fluoro-1,3-dihydroxybenzeneRefChem:522999634-416-44-Fluororesorcinol103068-41-34-fluorobenzene-1,3-diol4-Fluoro-1,3-benzenediolMFCD037890741-Fluoro-2,4-dihydroxybenzene1,3-Benzenediol, 4-fluoro-4fluororesorcinol4-fluoroben-zene-1,3-diol

이름 더 보기

4-Fluororesorcinol>4-Fluoro-1,3-benzenediol4-Fluororesorcinol, 97%,2,4-dihydroxyfluorobenzene4-Fluorobenzene-1,3-diol 98%

HY-W003112TS-016764-Fluoro-1,3-benzenediol; 4-Fluoro-1,3-dihydroxybenzene;BCP26770FT-06014564-Fluororesorcinol, 97%SCHEMBL701084SCHEMBL4866872

데이터베이스 식별자

CAS: 103068-41-3
PubChem CID: 10558640
DTXSID: DTXSID90441640
ChEMBL: CHEMBL2332777
EC Number: 634-416-4
Nikkaji: J812.313F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97

물리화학적 성질

녹는점: 96 · 96-100 °C
끓는 점: 240.8 · 240.8±10.0 °C(Predicted)
밀도: 1.415 · 1.415±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: DMSO및메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 8.49 · 8.49±0.10(Predicted)
색상: 갈색
InChI: InChI=1S/C6H5FO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
InChIKey: XPOIJNIQXJYQOV-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C(O)=C1

화학적 성질

4-Fluoro-1,3-benzenediol is Brown Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.1%): 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 70 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 CategoriesAcute Tox. 4 (98.6%)；Skin Irrit. 2 (98.6%)；Eye Irrit. 2 (98.6%)；STOT SE 3 (97.1%)

안전 데이터

wgk: 3
ridadr: 1759
HS 번호: 2908190090
risk_code: 20/21/22-34-36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Fluoro-1,3-benzenediol is used in the preparation of fluorescent dyes and indicators.

상·하류 제품 정보

상류 원료

하류 제품

2-(2,7-Difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic Acid

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海恩氟佳科技有限公司15800445152 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海策嵘生物科技有限公司[email protected]

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