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Methyl 2,4,5-trichlorophenoxyacetate

HCID 1482
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1928-37-6
Standard SMILES
COC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIKey
JUCNGUOYQGHBJC-UHFFFAOYSA-N
Molecular formula
C9H7Cl3O3
Average molar mass
269.5 g/mol
Monoisotopic mass
267.946077

Names & identifiers

Preferred name
Methyl 2,4,5-trichlorophenoxyacetate
IUPAC
methyl 2-(2,4,5-trichlorophenoxy)acetate
English name
2,4,5-t-Methyl ester
Molecular formula
C9H7Cl3O3
Molecular weight
269.51

Names & synonyms

2,4,5-T Methyl esterMethyl 2,4,5-trichlorophenoxyacetateRefChem:8129261928-37-6Methyl (2,4,5-trichlorophenoxy)acetatemethyl 2-(2,4,5-trichlorophenoxy)acetate2,4,5-T-methyl2,4,5-Trichlorophenoxyacetic acid methyl ester2,4,5-T-METHYL ESTER2,4,5-T-methyl [ISO]Acetic acid, 2-(2,4,5-trichlorophenoxy)-, methyl esterAcetic acid, (2,4,5-trichlorophenoxy)-, methyl ester
Show more names
'LGC' (1311)2,4,5-t methyl ester solutionmethyl2,4,5-trichlorophenoxyacetatemethyl2,4,5-trichloro-phenoxyacetatemethyl2,4,5-trichlorophenoxyethanoate2,4,5-T Methyl Ester @100 μg/mL in MeOH2,4,5-T-METHYL ESTER PESTANAL (METHYL (2
2,4,5-trichlorophenoxyacetic acid, methyl ester131049BJ6INSC-190451UNII-131049BJ6I2,4,5-T, METHYL ESTEREINECS 217-669-1NSC 1904512,5-T Methyl ester

Database identifiers

CAS

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
225

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
90.08 °C · 90.08°C
Boiling point
330.62 °C · 330.62°C (rough estimate)
Density
1.473 · 1.4730 (estimate)
Flash point
-26 °C · -26 °C
storage temp.
2 · 2-8°C
BRN
1985718 · 1985718
FDA UNII
131049 BJ6I · 131049BJ6I
Symbol(GHS)
7 · GHS07,GHS09
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335-H410
Precautionary statements
261 · P261-P264-P273-P301+P312-P302+P352-P305+P351+P338
Hazard Codes
F,Xn,N
Risk 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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk
3
ridadr
3345
risk_code
11-38-48/20-51/53-62-65-67-50/53-36/37/38-22-36
Signal word
Warning
Symbol(GHS)
GHS07,GHS09
hazard_code
F,Xn,N
safety_code
36/37-61-62-60-24-16
hazard_class
6.1(b)
packing_group
III
Hazard statements
H302-H315-H319-H335-H410
Precautionary statements
P261-P264-P273-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2,4,5-T Methyl Ester is used in pesticide compositions and processes related to their preparation and use, analysis of herbicides by gas-liquid chromatography, phenoxy ester identification and analysis

Upstream & downstream products

Upstream raw materials

2,4,5-Trichlorophenoxyacetic acidDimethyl sulfateIodomethane2,4,5-Trichlorophenol

Downstream products

1-Methyl-4-((2,4,5-trichlorophenoxy)acetyl)piperazine hydrochloride

Suppliers13 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
1928-37-6
PubChem CID
1482
DTXSID
DTXSID80172875
ChEMBL
CHEMBL1398384
UNII
131049BJ6I
EC Number
217-669-1
Nikkaji
J7.819K
11 · 11-38-48/20-51/53-62-65-67-50/53-36/37/38-22-36
Safety Statements
36 · 36/37-61-62-60-24-16
RIDADR
3345 · 3345
WGK Germany
3 · 3
HazardClass
6.1 · 6.1(b)
PackingGroup
III
天津阿尔塔科技有限公司
022-6537-8550 15522853686 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]