CAS 943832-60-8 Halauxifen (HCID 25181547)

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Basic information

CAS: 943832-60-8
Standard SMILES: COc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F
InChIKey: KKLBEFSLWYDQFI-UHFFFAOYSA-N
Molecular formula: C13H9Cl2FN2O3
Average molar mass: 331.12 g/mol
Monoisotopic mass: 329.9974257

Names & identifiers

Preferred name: Halauxifen
IUPAC: 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
English name: 2-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-
Molecular formula: C13H9Cl2FN2O3
Molecular weight: 331.13

Names & synonyms

Halauxifen943832-60-8Halauxifen [ISO]Halauxifen (free acid)UNII-X6XT37HY9RX6XT37HY9RXDE-7294-Amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylic acidDE-729XR-729XDE 729 acidXR-729 acid

Show more names

XDE729XDE 729Fluorochloropyridine esterHalauxifen (free acid) 100 μg/ml Acetonitrile

CHEBI:145477DTXSID102414474-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)picolinic acid2-PYRIDINECARBOXYLIC ACID, 4-AMINO-3-CHLORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL)-RefChem:145023DTXCID101639384-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acidHalauxifen methyl acid

Database identifiers

CAS: 943832-60-8
PubChem CID: 25181547
DTXSID: DTXSID10241447
ChEBI: CHEBI:145477
UNII: X6XT37HY9R
EC Number: 879-000-5
Nikkaji: J3.266.049E

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 85.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 390

Physicochemical properties

Boiling point: 527 · 527.0±50.0 °C(Predicted)
Density: 1.541 · 1.541±0.06 g/cm3(Predicted)
pka: 0.77 · 0.77±0.50(Predicted)
LogP: 2.46 · 2.460 (est)
FDA UNII: 6 XT37HY9R · X6XT37HY9R
Hazard statements: 412 · H412
Precautionary statements: 273 · P273-P501

Safety & regulation

GHS classification

GHS Classification · 3 items

H412 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationRegulation (EC) No 1107/2009 (amended)

Hazard Classes and CategoriesAquatic Chronic 3 (100%)

Regulatory information

Regulatory InformationRegulation (EC) No 1107/2009 (amended)

Safety data

Hazard statements: H412
Precautionary statements: P273-P501

Chemistry & industry

Applications

UsesHalauxifen is a herbicide with plasma elimination half-life of 1 h[1].

Suppliers6 total

聊城市鑫耀达新材料有限公司15065415681 15065415681 · [email protected]

上海艾梯西生物科技有限公司18721763493

上海泰坦科技股份有限公司18616708014 · [email protected]

济南思考化学有限公司0531-0000 · [email protected]

上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]

Additional notes · 1 item

DefinitionChEBI: Halauxifen is a pyridinemonocarboxylic acid that is 4-amino-3-chloropyridine-2-carboxylic acid which is substituted by a 4-chloro-2-fluoro-3-methoxyphenyl group at position 6. It is a herbicide used for the control of broad-leaved weeds in cereals and oilseed rape. It has a role as a herbicide, a synthetic auxin and a metabolite. It is a member of monochlorobenzenes, a member of monofluorobenzenes, a monomethoxybenzene, a chloropyridine, an aminopyridine, a pyridinemonocarboxylic acid and a biaryl.