3-Fluorocatechol

3-FLUOROBENZENE-1,2-DIOL · 3-FLUOROCATECHOL · 3-Fluorocatechol>3-Fluorocatechol,99% · 3-Fluorocatechol 99% · Guaiacol Impurity 45 · 3-FLUOROCATECHOL 98+% · 3-Fluoro-1,2-benzenediol · 3-Fluorobenznen-1,2-diol

https://huagongshe.com/ko/chemical/67764

식별자 및 물리적 특성

CAS No.	363-52-0
분자식	C6H5FO2
평균 분자량	128.1 g/mol
단동위원소 질량	128.02735756 g/mol
SMILES	Oc1cccc(F)c1O
InChIKey	DXOSJQLIRGXWCF-UHFFFAOYSA-N
PubChem CID	67764
ChEMBL	CHEMBL1230120
ChEBI	CHEBI:39876
EC No.	609-233-8
DTXSID	DTXSID50189839

화학 및 물리적 성질

XLogP	1.6
극성 표면적	40.5
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	9
형식 전하	0
복잡도	97
녹는점	71-73 °C (lit.)
끓는 점	218.4±20.0 °C(Predicted)
밀도	1.5140
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
pKa(산도 계수)	8.54±0.10(Predicted)
물리적 상태	결정성 분말
색상	연한 베이지부터 연한 갈색 회색까지
BRN	2436074
InChI	InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H
InChIKey	DXOSJQLIRGXWCF-UHFFFAOYSA-N
SMILES	C1(C(F)=CC=CC=1O)O

화학적 성질

light beige to light brown-grey crystalline powder

안전 및 규제

GHS 분류	DangerH302 (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.
규제 정보	Chemical: 1,2-Benzenediol, 3-fluoro-
Hazard Classes and Categories	Acute Tox. 4 (95.7%)Acute Tox. 4 (84.8%)Skin Corr. 1B (100%)Skin Sens. 1 (10.9%)Eye Dam. 1 (87%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 3261 8/PG 2
관세 코드	29081990
위험 문구(R)	20/21/22-34
위험 표시	C,Xi
안전 문구(S)	26-27-28-36/37/39-45
포장분류	III
위험 등급	8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B

용도

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