1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1)
Basic information
- CAS
50930-79-5- Standard SMILES
Nc1ccccc1.O=C(O)c1ccccc1C(=O)O- InChIKey
QGPZXNSBZMHHSR-UHFFFAOYSA-N- Molecular formula
- C14H13NO4
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.0844579
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1)
- IUPAC
- aniline;phthalic acid
- English name
- Aniline hydrogen phthalate
- Molecular formula
- C14H13NO4
- Molecular weight
- 259.26
Names & synonyms
50930-79-5Aniline PhthalatePhthalic acid, compound with aniline (1:1)EINECS 256-856-2DTXSID8068599RefChem:411178DTXCID3040934256-856-2ANILINE HYDROGEN PHTHALATEaniline;phthalic acidMFCD00042034Phthalic Acid Monoaniline Salt
Show more names
ANILINE HYDROGEN PHTALATEANILINE HYDROGEN PHTHLATEaniline phthalate solutionPHTHALIC ACID ANILINE SALTAnilineHydrogenPhthalate>ANILINEHYDROGENPHTHALATE,99%Aniline Phthalate 1-Butanol Solution
Benzene-1,2-dicarboxylic acid--aniline (1/1)SCHEMBL7045684SCHEMBL29765442AKOS015903018LS-14282NS00088421P0284D91939
Database identifiers
- CAS
50930-79-5- PubChem CID
- 170940
- DTXSID
DTXSID8068599- EC Number
- 256-856-2
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 223
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Physical DescriptionNearly white odorless crystalline powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 402.51 °C · 402.51°C (rough estimate)
- Density
- 0.857 g/mL · 0.857 g/mL at 20 °C
- refractive index
- 1.53 · 1.5300 (estimate)
- Flash point
- 40 °C · 40 °C
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Almost white
- EPA Substance Registry System
- 1 · 1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1) (50930-79-5)
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS08,GHS09
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, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, 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 Information1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1): Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A moderate skin and severe eye irritant; Harmful by ingestion, inhalation, and skin absorption; Risk of irreversible adverse health effects; Targets the liver, bladder, and ureter; Possible reproductive toxicant, based on animal studies; [Acros Organics MSDS] See Phthalic acid and Aniline.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1120 3/PG 3
- hs_code
- 29224985
- risk_code
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, compd. with benzenamine (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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