4-Hydroxy-3-aminophenylarsonic acid
Basic information
- CAS
2163-77-1- Standard SMILES
Nc1cc([As](=O)(O)O)ccc1O- InChIKey
UAKCHCFOPKOOLI-UHFFFAOYSA-N- Molecular formula
- C6H8AsNO4
- Average molar mass
- 233.05 g/mol
- Monoisotopic mass
- 232.966927
Names & identifiers
- Preferred name
- 4-Hydroxy-3-aminophenylarsonic acid
- IUPAC
- (3-amino-4-hydroxyphenyl)arsonic acid
- English name
- 3-amino-4-hydroxyphenylarsonic acid
- Molecular formula
- C6H8AsNO4
- Molecular weight
- 233.05
Names & synonyms
4-Hydroxy-3-aminophenylarsonic acidHAPA cpdRefChem:929063-Amino-4-hydroxyphenylarsonic acid2163-77-1(3-AMINO-4-HYDROXYPHENYL)ARSONIC ACID4-Hydroxy-3-arsanilic acid3-Amino-4-hydroxybenzenearsonic acidm-ARSANILIC ACID, 4-HYDROXY-Arsonic acid, (3-amino-4-hydroxyphenyl)-Benzenearsonic acid, 3-amino-4-hydroxy-NSC-18814
Show more names
3-AMINO-4-HYDROXYPHENYLARSONICCID(3-amino-4-hydroxyphenyl)arsonicaci(3-azanyl-4-hydroxy-phenyl)arsonic acidArsonic acid, As-(3-amino-4-hydroxyphenyl)-
2-AMINO-1-HYDROXYBENZENE-4-ARSONIC ACIDNSC18814EINECS 218-494-3NSC 18814BRN 28341492-Amino-4-arsonophenol4-Hydroxy-m-arsanilic acidKyselina 3-amino-4-hydroxybenzenarsonova [Czech]
Database identifiers
- CAS
2163-77-1- PubChem CID
- 16555
- DTXSID
DTXSID20176019- ChEMBL
CHEMBL1970917- UNII
- 6BW7B92RB8
- EC Number
- 218-494-3
- Nikkaji
- J33.866D
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 290 °C · 290°C (rough estimate)
- Boiling point
- 586 · 586.0±60.0 °C(Predicted)
- pka
- 8.53 · 8.53±0.22(Predicted)
- form
- solid
- REACH Annex XVII Substances List
- 3 · 3-amino-4-hydroxyphenylarsonic acid (2163-77-1)
- FDA UNII
- 6 BW7B92RB8 · 6BW7B92RB8
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H331-H410
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P273-P391-P501
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
Danger
H228 (36.1%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P270, P271, P273, P280, P301+P316, P304+P340, P316, P321, P330, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 61 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationRestricted substance: 3-amino-4-hydroxyphenylarsonic acid
Hazard Classes and CategoriesFlam. Sol. 1 (36.1%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H301-H331-H410
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P273-P391-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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