3-Fluorocatechol

HCID 67764CAS 363-52-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Oc1cccc(F)c1O
InChIKey
DXOSJQLIRGXWCF-UHFFFAOYSA-N
분자식
C6H5FO2
평균 분자량
128.1 g/mol
단동위원소 질량
128.02735756

이름 및 식별자

우선 이름
3-Fluorocatechol
IUPAC
3-fluorobenzene-1,2-diol
영어명
3-FLUOROCATECHOL
분자식
C6H5FO2
분자량
128.1

이름 및 동의어

3-Fluorocatechol363-52-03-Fluorobenzene-1,2-diol1,2-Benzenediol, 3-fluoro-3-Fluoro-1,2-dihydroxybenzene3-Fluoro-1,2-benzenediolPyrocatechol, 3-fluoro-1,2-Dihydroxy-3-fluoroBenzeneCHEBI:39876DTXSID50189839RefChem:501960DTXCID60112330
이름 더 보기
3-Fluorocatechol>3-Fluorocatechol,99%3-Fluorocatechol 99%Guaiacol Impurity 453-FLUOROCATECHOL 98+%3-Fluorobenznen-1,2-diol3-Fluoro-2-hydroxy-phenol
609-233-8MFCD000425821-Fluoro-2,3-dihydroxybenzene3-fluoro-benzene-1,2-diolCL8492CS-W0074823FASY028999

데이터베이스 식별자

CAS
363-52-0
PubChem CID
67764
DTXSID
DTXSID50189839
ChEMBL
CHEMBL1230120
ChEBI
CHEBI:39876
EC Number
609-233-8
Nikkaji
J100.369K

물성

구조 계산 물성

XLogP
1.6
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
9

물리화학적 성질

녹는점
71 · 71-73 °C (lit.)
끓는 점
218.4 · 218.4±20.0 °C(Predicted)
밀도
1.514 · 1.5140
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
8.54 · 8.54±0.10(Predicted)

화학적 성질

light beige to light brown-grey crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (84.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (10.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (84.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 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

Regulatory InformationChemical: 1,2-Benzenediol, 3-fluoro-
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)；Acute Tox. 4 (84.8%)；Skin Corr. 1B (100%)；Skin Sens. 1 (10.9%)；Eye Dam. 1 (87%)；Acute Tox. 4 (84.8%)

규제 정보

Regulatory InformationChemical: 1,2-Benzenediol, 3-fluoro-

안전 데이터

wgk
3
ridadr
UN 3261 8/PG 2
HS 번호
29081990
risk_code
20/21/22-34
hazard_code
C,Xi
safety_code
26-27-28-36/37/39-45

화학 및 산업

응용 분야

용도3-Fluorocatechol is a fluorinated catechol used in the preparation of synthetic humic acid as well as an intermediate in the preparation of 3-fluoroveratrole.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

추가 설명

정의ChEBI: A catechol bearing an additional fluoro substituent at position 3.

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