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2,3-Difluorobenzene-1,4-diol

HCID 11029970
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
124728-90-1
Standard SMILES
Oc1ccc(O)c(F)c1F
InChIKey
QLKWZXXUWUOXCH-UHFFFAOYSA-N
Molecular formula
C6H4F2O2
Average molar mass
146.09 g/mol
Monoisotopic mass
146.01793581

Names & identifiers

Preferred name
2,3-Difluorobenzene-1,4-diol
IUPAC
2,3-difluorobenzene-1,4-diol
English name
2,3-DIFLUORO-HYDROQUINONE
Molecular formula
C6H4F2O2
Molecular weight
146.09

Names & synonyms

2,3-difluorobenzene-1,4-diol124728-90-12,3-Difluorohydroquinone2,3-DIFLUORO-1,4-BENZENEDIOL2,3-DIFLUORO-HYDROQUINONEMFCD040387911,4-BENZENEDIOL, 2,3-DIFLUORO-SCHEMBL1512796SCHEMBL29987655DTXSID00452449QLKWZXXUWUOXCH-UHFFFAOYSA-NSBB059426
Show more names
2,3-diflurobenzene-1,4-diol2,3-Difluoro-4-hydroxyphenol1,4-Benzenediol,2,3-difluoro-(9CI)
AKOS006344274SY573882CS-0192217ST51044433E89720F629985

Database identifiers

CAS
124728-90-1
PubChem CID
11029970
DTXSID
DTXSID00452449

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
106

Physicochemical properties

Melting point
124 · 124-126℃
Boiling point
247.9 · 247.9±35.0℃ (760 Torr)
Density
1.542 · 1.542±0.06 g/cm3 (20 ºC 760 Torr)
Flash point
103.7 · 103.7±25.9℃
storage temp.
2 · 2-8°C
pka
8.14 · 8.14±0.23(Predicted)
form
crystals
color
White to off-white
CAS DataBase Reference
124728 · 124728-90-1
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H335-H302+H312+H332-H315
Precautionary statements
280 · P280-P301+P312-P362+P364
HS Code
2914698090 · 2914698090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2914698090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H335-H302+H312+H332-H315
Precautionary statements
P280-P301+P312-P362+P364

Chemistry & industry

Suppliers27 total

上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
越林试剂021-62960152 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州氟药药业有限公司0571-85586753 13336034509 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.

Related reactions

2 records
New reaction record
HRID 6333 reaction equation
HRID 6333As productuspto-grants-1993_09
HRID 1134800 reaction equation
HRID 1134800As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
+86-(0)57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
海门市博力医药科技有限公司18260586918 1012195306 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
杭州氟药药业有限公司+86-0571-85586753 +86-13336034509 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]