3,6-Dichlorosalicylic acid

HCID 18844
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Basic information

CAS
3401-80-7
Standard SMILES
O=C(O)c1c(Cl)ccc(Cl)c1O
InChIKey
FKIKPQHMWFZFEB-UHFFFAOYSA-N
Molecular formula
C7H4Cl2O3
Average molar mass
207.01 g/mol
Monoisotopic mass
205.95374935

Overview

structure; RN given refers to parent cpd

Names & identifiers

Preferred name
3,6-Dichlorosalicylic acid
IUPAC
3,6-dichloro-2-hydroxybenzoic acid
English name
3,6-DICHLORO-2-HYDROXY BENZOIC ACID
Molecular formula
C7H4Cl2O3
Molecular weight
207.01

Names & synonyms

3,6-Dichloro-2-hydroxybenzoic acid3401-80-73,6-DICHLOROSALICYLIC ACID2-Hydroxy-3,6-dichlorobenzoic acid2-Oxy-3,6-dichlorobenzoic acid4YBF44H2O7DTXSID90416573,6-DCSA cpdRefChem:487540DTXCID7021657222-275-83,6-Dichloro-2-hydroxy benzoic acid
Show more names
AKOS BBS-00006746Dicamba metaboliteOTAVA-BB BB7020410042Dichlorosalicylicacid3,6-dichloro-salicylicaciC12260300 Dicamba-desmethyl3,6-dichloro-2-hydroxybenzoicaci6-Dichloro-2-hydroxy benzoic acid
Benzoic acid, 3,6-dichloro-2-hydroxy-MFCD00155381Dicamba-desmethylCHEMBL1233461DCSA3,6-Dichloro-2-hydroxy-benzoic acidBRN 2938787EINECS 222-275-8

Database identifiers

CAS
3401-80-7
PubChem CID
18844
DTXSID
DTXSID9041657
ChEMBL
CHEMBL1233461
UNII
4YBF44H2O7
EC Number
222-275-8
Nikkaji
J205.507D

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physicochemical properties

Melting point
195 ℃ · approximate 195℃ (dec.)
Boiling point
297.29 °C · 297.29°C (rough estimate)
Density
1.5281 · 1.5281 (rough estimate)
refractive index
1.4845 · 1.4845 (estimate)
storage temp.
2 · 2-8°C
solubility
DMSO (Soluble), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 3 items

H412 (99.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 135 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAquatic Chronic 3 (99.3%)

Safety data

tsca
TSCA listed
hs_code
2918290000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzoic acid, 3,6-dichloro-2-hydroxy-: ACTIVE

Applications

Uses3,6-Dichloro-2-hydroxy benzoic acid is an intermediate for the herbicide dicamba.

Upstream & downstream products

Suppliers73 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海策嵘生物科技有限公司[email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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