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2,3,4-Trifluorobenzoyl chloride

HCID 2734022
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
157373-08-5
Standard SMILES
O=C(Cl)c1ccc(F)c(F)c1F
InChIKey
NXRQXCFBZGIRGN-UHFFFAOYSA-N
Molecular formula
C7H2ClF3O
Average molar mass
194.54 g/mol
Monoisotopic mass
193.97462702

Names & identifiers

Preferred name
2,3,4-Trifluorobenzoyl chloride
IUPAC
2,3,4-trifluorobenzoyl chloride
English name
2,3,4-TRIFLUOROBENZOYL CHLORIDE
Molecular formula
C7H2ClF3O
Molecular weight
194.54

Names & synonyms

2,3,4-Trifluorobenzoyl chloride157373-08-5DTXSID50370083RefChem:81315DTXCID30321119623-258-1NXRQXCFBZGIRGN-UHFFFAOYSA-N2,3,4-trifluorobenzoylchlorideBenzoyl chloride, 2,3,4-trifluoro-MFCD000750782,3,4-trifluoro-benzoyl chloridetrifluorobenzoyl chloride
Show more names
SKL1227TRIFLUOROBENZOYLCHLORIDE2,3,4-Trifluorobenzoylchloride98%2,3,4-Trifluorobenzoyl chloride 98%2,3,4-Trifluorobenzoyl chloride, 97+%Benzoyl chloride, 2,3,4-trifluoro- (9CI)
SCHEMBL525011SBB091795AKOS005258025benzoyl chloride, 2,3,4-trifluoro-;PS-10692SY049308F007494

Database identifiers

CAS
157373-08-5
PubChem CID
2734022
DTXSID
DTXSID50370083
EC Number
623-258-1
Nikkaji
J2.022.323E

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
187

Physicochemical properties

Boiling point
143 · 143-144 °C130 mm Hg(lit.)
Density
1.522 g/mL · 1.522 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.497(lit.)
Flash point
199 °F · 199 °F
storage temp.
-20 °C · -20°C Freezer
solubility
Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
form
Oil
color
Clear Colourless to Pale Yellow
Specific Gravity
1.522 · 1.522
Sensitive
Lachrymatory
BRN
9122972 · 9122972
CAS DataBase Reference
157373 · 157373-08-5(CAS DataBase Reference)
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
227 · H227-H290-H314-H318
Precautionary statements

Safety & regulation

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

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 44.6% (37 of 83) of reports.

Danger

H314 (55.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 83 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (55.4%)

Safety data

wgk
3
ridadr
UN 3265 8/PG 2
hs_code
29163990
risk_code
34-36/37
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C
hazard_note
Corrosive/Lachrymatory
safety_code
23-26-27-36/37/39-45
hazard_class
8
packing_group
II
Hazard statements
H227-H290-H314-H318
Limited Quantities
1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities

Chemistry & industry

Applications

Uses2,3,4-TRIFLUOROBENZOYL CHLORIDE is a reagent used in the preparation of Levofloxacin.

Suppliers93 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]

Related reactions

13 records
New reaction record
HRID 183426 reaction equation
HRID 183426As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 214867 reaction equation
HRID 214867As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 450671 reaction equation
HRID 450671As reactantuspto-grants-2013_07
HRID 548653 reaction equation
HRID 548653As reactantuspto-grants-2011_05
HRID 548669 reaction equation
HRID 548669As reactantuspto-grants-2011_05
HRID 548683 reaction equation
HRID 548683As reactantuspto-grants-2011_05
HRID 578163 reaction equation
HRID 578163As reactantuspto-grants-2015_05
HRID 941274 reaction equation
HRID 941274As reactantValidation data from https://doi.org/10.1039/C8SC04228D
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
210 e-P260h-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501 · P210e-P260h-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501
Hazard Codes
C
Risk Statements
34 · 34-36/37
Safety Statements
23 · 23-26-27-36/37/39-45
RIDADR
3265 · UN 3265 8/PG 2
WGK Germany
3 · 3
Hazard Note
Corrosive/Lachrymatory
HazardClass
8 · 8
PackingGroup
II
HS Code
29163990 · 29163990
Limited Quantities
1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements
P210e-P260h-P303+P361+P353-P305+P351+P338-P501a-P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P390-P403+P235-P405-P406-P501
Allfluoro Pharmaceutical Company Limited
+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
河北明吉化工科技有限公司13731109507
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
安徽科迪达化工有限公司0554-2106669 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
天津安浩生物科技有限公司[email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
艾吉析科技(上海)有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]