Basic information
- CAS
93-80-1- Standard SMILES
O=C(O)CCCOc1cc(Cl)c(Cl)cc1Cl- InChIKey
RTWCZQFXFMXXKP-UHFFFAOYSA-N- Molecular formula
- C10H9Cl3O3
- Average molar mass
- 283.5 g/mol
- Monoisotopic mass
- 281.961727
Overview
structure
Names & identifiers
- Preferred name
- 4-(2,4,5-Trichlorophenoxy)butyric acid
- IUPAC
- 4-(2,4,5-trichlorophenoxy)butanoic acid
- English name
- 2,4,5-TB
- Molecular formula
- C10H9Cl3O3
- Molecular weight
- 283.54
Names & synonyms
4-(2,4,5-Trichlorophenoxy)butyric acidRefChem:4427554-(2,4,5-T)-B /OD/ 4-(2,4,5-trichlorophenoxy)butanoic acid2,4,5-TB93-80-12,4,5-T butyric acid4-(2,4,5-Trichlorophenoxy)butanoic acidButanoic acid, 4-(2,4,5-trichlorophenoxy)-2,4,5-TB [ISO]Butyric acid, 4-(2,4,5-trichlorophenoxy)-8JM4UCP94PNSC-102787
Show more names
2,4,5-t,butyricacidγ-(2,4,5-trichlorophenoxy)butyricacid4-(2,4,5-trichlorophenoxy)-butyricaci4-(2,4,5-trichlorophenoxy)butyricacid4-(2,4,5-trichlorophenoxy)-butanoicaci2, 4, 5-TB, 100 μg /μL in Acetonitrilebutyricacid,4-(2,4,5-trichlorophenoxy)-
Caswell No. 881X.gamma.-(2,4,5-Trichlorophenoxy)butyric acidEINECS 202-278-0UNII-8JM4UCP94PEPA Pesticide Chemical Code 481800NSC 102787BRN 2465419gamma-(2,4,5-Trichlorophenoxy)butyric acid
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 114.5 °C · 114.5°C
- Boiling point
- 438.1 · 438.1±45.0 °C(Predicted)
- Density
- 1.4221 · 1.4221 (estimate)
- pka
- 4.54 · 4.54±0.10(Predicted)
- Water Solubility
- 42 mg/L · 42mg/L(25 ºC)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 JM4UCP94P · 8JM4UCP94P
- EPA Substance Registry System
- 2 · 2,4,5-TB (93-80-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 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
- ridadr
- 3345
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers6 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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