4'-Hydroxyazobenzene-4-carboxylic Acid
Basic information
- CAS
105299-45-4- Standard SMILES
O=C(O)c1ccc(N=Nc2ccc(O)cc2)cc1- InChIKey
HLVCZTOFOWHIJZ-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.06914219
Names & identifiers
- Preferred name
- 4'-Hydroxyazobenzene-4-carboxylic Acid
- IUPAC
- 4-[(4-hydroxyphenyl)diazenyl]benzoic acid
- English name
- (E)-4-[(4-Hydroxyphenyl)azo]benzoic acid
- Molecular formula
- C13H10N2O3
- Molecular weight
- 242.23
Names & synonyms
Benzoic acid, 4-[(4-hydroxyphenyl)azo]-4'-Hydroxyazobenzene-4-carboxylic AcidBenzoic acid, 4-[2-(4-hydroxyphenyl)diazenyl]-Benzoic acid, 4-((4-hydroxyphenyl)azo)-Benzoic acid, 4-(2-(4-hydroxyphenyl)diazenyl)-RefChem:506145805-845-62497-38-3(E)-4-((4-Hydroxyphenyl)diazenyl)benzoic acid105299-45-44-[(4-hydroxyphenyl)diazenyl]benzoic acid4-[(4-Hydroxyphenyl)azo]benzoic acid
Show more names
4-(4'-Hydroxyphenylazo)benzoic acid 97%4-[(1E)-(4-Hydroxyphenyl)azo]benzoic acidBenzoic acid, 4-[(1E)-(4-hydroxyphenyl)azo]-4-[(1E)-2-(4-hydroxyphenyl)diazen-1-yl]benzoic acid
4-((4-hydroxyphenyl)diazenyl)benzoic acid(E)-4-[(4-Hydroxyphenyl)azo]benzoic acid1H-Benzimidazol-2-ylgu4-(4-Hydroxyphenylazo)benzoic AcidMFCD002252684-[(E)-(4-Hydroxyphenyl)diazenyl]benzoic acid4-[2-(4-hydroxyphenyl)diazen-1-yl]benzoic acidAKOS001588421
Database identifiers
- CAS
105299-45-4、2497-38-3- PubChem CID
- 75620
- DTXSID
DTXSID1062469- ChEMBL
CHEMBL2204744- EC Number
- 802-409-7、805-845-6
- Nikkaji
- J421.617B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 270 · 270-280°C
- Boiling point
- 497.7 · 497.7±30.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.94 · 3.94±0.10(Predicted)
- form
- solid
- InChI
- 1S/C13H10N2O3/c16-12-7-5-11(6-8-12)15-14-10-3-1-9(2-4-10)13(17)18/h1-8,16H,(H,17,18)/b15-14+
- InChIKey
- HLVCZTOFOWHIJZ-CCEZHUSRSA-N
- SMILES
- OC(C1=CC=C(/N=N/C2=CC=C(O)C=C2)C=C1)=O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- Hazard Codes
- Xn
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (50%)
Acute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-[2-(4-hydroxyphenyl)diazenyl]-: INACTIVE
Applications
Uses4-(4′-Hydroxyphenylazo)benzoic acid may be used to synthesize 4-(4-propyloxyphenylazo)benzoic acid via Williamson synthesis by reacting with 1-bromopropane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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