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methyl 3,4,5-trifluorobenzoate

HCID 2783211
NotesReactions

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

CAS
773873-72-6
Standard SMILES
COC(=O)c1cc(F)c(F)c(F)c1
InChIKey
NBBPHMUHCCIOJQ-UHFFFAOYSA-N
Molecular formula
C8H5F3O2
Average molar mass
190.12 g/mol
Monoisotopic mass
190.02416406

Names & identifiers

Preferred name
methyl 3,4,5-trifluorobenzoate
IUPAC
Methyl 3,4,5-trifluorobenzoate
English name
METHYL 3,4,5-TRIFLUOROBENZENECARBOXYLATE
Molecular formula
C8H5F3O2
Molecular weight
190.12

Names & synonyms

Methyl 35-trifluorobenzoateRARECHEM AL BF 03433,4,5-fluorobenzoateMethyl 3,4,5-trifluorobenzoate3,4,5-trifluoroMethyl benzoateMethyl3,4,5-trifluorobenzoate99%3,4,5-Trifluorobenzoic acid methyl esterMETHYL 3,4,5-TRIFLUOROBENZENECARBOXYLATEBenzoic acid, 3,4,5-trifluoro-, methyl ester

Database identifiers

CAS
773873-72-6
PubChem CID
2783211
DTXSID
DTXSID00382510
EC Number
819-920-6

Properties

Physicochemical properties

Boiling point
211.1 · 211.1±40.0 °C(Predicted)
Density
1.358 · 1.358±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
liquid
color
Clear, colourless
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes
Xi
HazardClass
IRRITANT
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
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_class
IRRITANT
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Methanol3,4,5-Trifluorobenzoic acid

Suppliers43 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海澄拓化工科技有限公司021-59904146 18001826933 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
上海策嵘生物科技有限公司(定制合成实验室)13062833949 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
阜新策嵘生物科技有限公司(中试车间)13062833949 · [email protected]
Nanjing Dolon Biotechnology Co.,Ltd.18905173768 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]

Related reactions

8 records
New reaction record
HRID 146552 reaction equation
HRID 146552As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 215287 reaction equation
HRID 215287As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 664105 reaction equation
HRID 664105As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 732694 reaction equation
HRID 732694As reactantuspto-grants-2009_09
HRID 1691690 reaction equation
HRID 1691690As reactantuspto-grants-2012_04
HRID 1691759 reaction equation
HRID 1691759As reactantuspto-grants-2012_04
HRID 1691764 reaction equation
HRID 1691764As reactantuspto-grants-2012_04
HRID 2130143 reaction equation
HRID 2130143As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes