Basic information
- CAS
50-82-8- Standard SMILES
O=C(O)c1cc(Cl)c(Cl)cc1Cl- InChIKey
PTFNNDHASFGWFI-UHFFFAOYSA-N- Molecular formula
- C7H3Cl3O2
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.919862
Names & identifiers
- Preferred name
- 2,4,5-Trichlorobenzoic acid
- IUPAC
- 2,4,5-trichlorobenzoic acid
- English name
- 2,4,5-Trichlorobenzoic acid
- Molecular formula
- C7H3Cl3O2
- Molecular weight
- 225.46
Names & synonyms
2,4,5-TRICHLOROBENZOIC ACID50-82-8Benzoic acid, 2,4,5-trichloro-MFCD016620449Z293EF6PANSC-141508Ixazomib Impurity 322,4,5-TrichlorobenzoicacidBRN 1871922AI3-333322,5-Trichlorobenzoic acidWLN: QVR BG DG EG
Show more names
2,4,5-TCBProthioconazole Impurity 172,4,5-Trichlorobenzoic acid 97%4-(4-amino-1-naphthalenyl)-1-naphthalenamine
UNII-9Z293EF6PABenzoic acid,4,5-trichloro-SCHEMBL2818580DTXSID8075332NSC141508SBB052623AKOS015890402AC-8532
Database identifiers
- CAS
50-82-8- PubChem CID
- 5786
- DTXSID
DTXSID8075332- UNII
- 9Z293EF6PA
- EC Number
- 633-360-8
- Nikkaji
- J6.566H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 166.5 °C · 166.5°C
- Boiling point
- 334.7 · 334.7±37.0 °C(Predicted)
- Density
- 1.5599 · 1.5599 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.25 · 2.25±0.25(Predicted)
- color
- White to Off-White
- FDA UNII
- 9 Z293EF6PA · 9Z293EF6PA
- EPA Substance Registry System
- 2 · 2,4,5-Trichlorobenzoic acid (50-82-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
- HS Code
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2,4,5-trichloro-: ACTIVE
Applications
Uses2,4,5-Trichlorobenzoic Acid can be used as smart release potash fertilizer granules.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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