Basic information
- CAS
619-67-0- Standard SMILES
NNc1ccc(C(=O)O)cc1- InChIKey
PCNFLKVWBDNNOW-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Overview
4-hydrazinobenzoic acid has been reported in Agaricus bisporus with data available.
Names & identifiers
- Preferred name
- 4-Hydrazinobenzoic acid
- IUPAC
- 4-hydrazinylbenzoic acid
- English name
- 4-Hydrazinylbenzoic acid
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
4-Hydrazinobenzoic acid619-67-04-hydrazinylbenzoic acidp-Hydrazinobenzoic acidBenzoic acid, 4-hydrazino-(4-Carboxyphenyl)hydrazineBENZOIC ACID, p-HYDRAZINO-DTXSID3020708Benzoic acid, 4-hydrazinyl-B1R368JE7ONSC-3813DTXCID10708
Show more names
4-hydrazineylbenzoic acidAKOS BBS-00006727P-carboxyl hydrazineDelarox EP Impurity Fp-hydrazino-benzoicaci4-hydrazino-benzoicaciDeferasirox Impurity 11
RefChem:523625210-609-54-Carboxyphenylhydrazinep-CarboxyphenylhydrazineMFCD00007581Deferasirox Hydrazino Impurity4-hydrazino benzoic acidCCRIS 7911
Database identifiers
- CAS
619-67-0- PubChem CID
- 12089
- DTXSID
DTXSID3020708- ChEMBL
CHEMBL3189010- UNII
- B1R368JE7O
- EC Number
- 210-609-5
- Nikkaji
- J60.373B
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 218 °C · 218 °C (dec.) (lit.)
- Boiling point
- 274.61 °C · 274.61°C (rough estimate)
- Density
- 1.2804 · 1.2804 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- Flash point
- 110 ° · >110°
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Crystalline Powder
- pka
- 4.14 · 4.14±0.10(Predicted)
- color
- Light yellow to light brown
- BRN
- 387378 · 387378
- Stability
- Stable. Combustible. Incompatible with strong acids, strong oxidizing agents.
- InChI
- InChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11)
- InChIKey
- PCNFLKVWBDNNOW-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(NN)C=C1
- CAS DataBase Reference
- 619 · 619-67-0(CAS DataBase Reference)
- FDA UNII
- 1 R368JE7O · B1R368JE7O
- EPA Substance Registry System
- 4 · Benzoic acid, 4-hydrazino- (619-67-0)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 1 · 1
- RTECS
- 1700000 · DH1700000
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29280000 · 29280000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 63 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 22-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16877
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- DH1700000
- hs_code
- 29280000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-hydrazinyl-: ACTIVE
Applications
Uses4-Hydrazinobenzoic acid was used in the synthesis of multi-substituted dihydropyrano[2,3-c]pyrazole derivatives.
Upstream & downstream products
Downstream products
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Related reactions
88 records
Compound notes
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