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2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid

HCID 9837573
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
167887-95-8
Standard SMILES
Cc1c(F)c(F)c([N+](=O)[O-])c(C(=O)O)c1F
InChIKey
LXDITRBZRZATMT-UHFFFAOYSA-N
Molecular formula
C8H4F3NO4
Average molar mass
235.117 g/mol
Monoisotopic mass
235.00924227

Names & identifiers

Preferred name
2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid
IUPAC
2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid
English name
2,4,5-TRIFLUORO-3-METHYL-6-NITROBENZOIC ACID
Molecular formula
C8H4F3NO4
Molecular weight
235.12

Names & synonyms

Trifluoro methyl nitrobenzoic acid2,4,5-TRIFLUORO-3-METHYL-6-NITROBENOIC ACID3-METHYL-6-NITRO-2,4,5-TRIFLUOROBENZOIC ACID2,4,5-TRIFLUORO-3-METHYL-6-NITROBENZOIC ACIDBenzoic acid, 2,4,5-trifluoro-3-methyl-6-nitro-2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid, CAS 167887-95-8

Database identifiers

CAS
167887-95-8
PubChem CID
9837573
DTXSID
DTXSID60431593
Nikkaji
J1.977.560G

Properties

Physicochemical properties

Boiling point
365.8 · 365.8±42.0 °C(Predicted)
Density
1.647 · 1.647±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
1.01 · 1.01±0.39(Predicted)
CAS DataBase Reference
167887 · 167887-95-8(CAS DataBase Reference)
HS Code
2916399090 · 2916399090

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
2916399090

Chemistry & industry

Suppliers13 total

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
天津安浩生物科技有限公司[email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海相辉医药科技有限公司[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [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]

Related reactions

13 records
New reaction record
HRID 125783 reaction equation
HRID 125783As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 180129 reaction equation
HRID 180129As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 315479 reaction equation
HRID 315479As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 322821 reaction equation
HRID 322821As productuspto-grants-2001_04
HRID 342614 reaction equation
HRID 342614As productuspto-grants-1999_01
HRID 342615 reaction equation
HRID 342615As reactantuspto-grants-1999_01
HRID 807411 reaction equation
HRID 807411As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1078263 reaction equation
HRID 1078263As productuspto-grants-1996_08
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Compound notes

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