Basic information
- CAS
16555-77-4- Standard SMILES
O=C(O)CONC(=O)c1ccccc1- InChIKey
WDRGQGLIUAMOOC-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- Benzadox
- IUPAC
- 2-benzamidooxyacetic acid
- English name
- Benzadox
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
BenzadoxTopcideBenzamidooxyacetic acidBenzadox [ANSI]Caswell No. 075C((Benzoylamino)oxy)acetic acid[(Benzoylamino)oxy]acetic acido-Benzamidoglycolic acidBenzadox [ANSI:BSI]DTXSID7041625UNII-KSR5R1E31IKSR5R1E31I
Show more names
S 6173S-7173S-7,173TopicideNSC 75601Benzamidoxyacetic acid
EINECS 226-053-1NSC-75601EPA Pesticide Chemical Code 275400DTXCID5021625S 7173S-6173Benzadox (ANSI)2-((BENZOYLAMINO)OXY)ACETIC ACID
Database identifiers
- CAS
16555-77-4、5251-93-4- PubChem CID
- 21322
- DTXSID
DTXSID7041625- ChEMBL
CHEMBL449455- UNII
- KSR5R1E31I
- EC Number
- 226-053-1
- Nikkaji
- J8.827G
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
LogP-0.27
Collision Cross Section150.9 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7041625]
Physicochemical properties
- Melting point
- 140 °C · 140°C
- Boiling point
- 331.83 °C · 331.83°C (rough estimate)
- Density
- 1.3544 · 1.3544 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- solubility
- Methanol
- form
- Solid
- pka
- 2.75 · 2.75±0.10(Predicted)
- color
- Pale Yellow
- Water Solubility
- 15.75 g/L · 15.75g/L(temperature not stated)
- FDA UNII
- 5 R1E31I · KSR5R1E31I
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, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionBenzadox is a largely obsolete herbicide that was used to control broadleaved weeds and grasses in sugarbeet crops. Very little data is available regarding its environmental fate, ecotoxicology nor its impact on human health.
UsesHippurate analog. Inhibitor of peptidylglycine α-hydroxylating monooxygenase (PHM). Pesticide.
Suppliers7 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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