4-(2-Chloroacetamido)phenylarsonic acid
Basic information
- CAS
5425-62-7- Standard SMILES
O=C(CCl)Nc1ccc([As](=O)(O)O)cc1- InChIKey
BWPMHDNLIGQVLN-UHFFFAOYSA-N- Molecular formula
- C8H9AsClNO4
- Average molar mass
- 293.53 g/mol
- Monoisotopic mass
- 292.943605
Names & identifiers
- Preferred name
- 4-(2-Chloroacetamido)phenylarsonic acid
- IUPAC
- [4-[(2-chloroacetyl)amino]phenyl]arsonic acid
- English name
- 4-(2-chloroacetamido)phenylarsonic acid
- Molecular formula
- C8H9AsClNO4
- Molecular weight
- 293.54
Names & synonyms
5425-62-7N-CHLOROACETYLARSANILIC ACIDARSONIC ACID, (4-((CHLOROACETYL)AMINO)PHENYL)-4-(2-Chloroacetamido)phenylarsonic acidNSC 12629EINECS 226-569-7NSC 43640BRN 2981394(4-((Chloroacetyl)amino)phenyl)arsonic acidAcide monochloroacetamido-4 benzene arsonique [French][4-(2-Chloroacetamido)phenyl]arsonic acidAcide monochloroacetamido-4 benzene arsonique
Show more names
4-[(Chloroacetyl)amino]phenylarsonic acid[4-[(2-chloroacetyl)amino]phenyl]arsonic acidArsonic acid, [4-[(chloroacetyl)amino]phenyl]- (9CI)
ANTINEOPLASTIC-12629ANTINEOPLASTIC-43640DTXSID20202605BWPMHDNLIGQVLN-UHFFFAOYSA-NNSC12629NSC43640NSC-12629NSC-43640
Database identifiers
- CAS
5425-62-7- PubChem CID
- 21548
- DTXSID
DTXSID20202605- EC Number
- 226-569-7
- Nikkaji
- J81.026F
Properties
Computed structural properties
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Melting point
- 285 °C · 285 °C (decomp)(Solv: water (7732-18-5))
- pka
- 3.66 · 3.66±0.10(Predicted)
- REACH Annex XVII Substances List
- 4 · 4-(2-chloroacetamido)phenylarsonic acid (5425-62-7)
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 410 · H410-H301-H331
- Precautionary statements
- 261 · P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, P403+P233, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationRestricted substance: 4-(2-chloroacetamido)phenylarsonic acid
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H410-H301-H331
- Precautionary statements
- P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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