Basic information
- CAS
24589-77-3- Standard SMILES
Cl.NNc1ccc(C(=O)O)cc1- InChIKey
XHLQMKQBCHYRLC-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2O2
- Average molar mass
- 188.61 g/mol
- Monoisotopic mass
- 188.0352552
Names & identifiers
- Preferred name
- Benzoic acid, 4-hydrazinyl-, hydrochloride (1:1)
- IUPAC
- 4-hydrazinylbenzoic acid;hydrochloride
- English name
- 4-Hydrazinobenzoic acid hydrochloride
- Molecular formula
- C7H9ClN2O2
- Molecular weight
- 188.61
Names & synonyms
24589-77-34-Hydrazinobenzoic acid hydrochloridep-Hydrazinobenzoic acid hydrochloride4-Carboxyphenylhydrazine hydrochlorideBenzoic acid, 4-hydrazino-, monohydrochlorideBenzoic acid, 4-hydrazinyl-, hydrochloride (1:1)DTXSID80207094-Hydrazinobenzoic acid monohydrochlorideNSC-153171DTXCID40709UX5352D97ZRefChem:523626
Show more names
BIO-FARMA BF0010824-Hydrazinobenzoic4-Hydrazinobenzoic aLABOTEST-BB LT01596126P-CARBOXYPHENYL HYDRAZINE HCLHydrazinobenzoic acid hydrochloriP HYDRAZINOBENZOIC ACID HYDROCHLORIDECarboxy phenylhydrazine hydrochloride
246-330-04-hydrazinylbenzoic acid hydrochlorideMFCD000390734-Carboxyphenylhydrazinium chloridep-Hydrazinobenzoic acid.HClp-Carboxyphenylhydrazine hydrochloride4-hydrazinylbenzoic acid;hydrochloride4-HYDRAZINOBENZOIC ACID HCL
Database identifiers
- CAS
24589-77-3
Properties
Computed structural properties
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 253 °C · 253 °C (dec.)(lit.)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Sparingly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- Soluble in water.
- InChI
- InChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
- InChIKey
- XHLQMKQBCHYRLC-UHFFFAOYSA-N
- SMILES
- C1(C(=O)O)=CC=C(NN)C=C1.Cl
- CAS DataBase Reference
- 24589 · 24589-77-3(CAS DataBase Reference)
- FDA UNII
- 5352 D97Z · UX5352D97Z
- EPA Substance Registry System
- 4 · Benzoic acid, 4-hydrazino-, monohydrochloride (24589-77-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DH1700000
- hs_code
- 2928009090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-hydrazinyl-, hydrochloride (1:1): INACTIVE
Applications
Uses4-Hydrazinobenzoic acid hydrochloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields. It may be used for the preparation of 4-(3-(2-(tert-butoxycarbonylamino)ethyl)-5-hydroxy-1H-pyrazol-1-yl)benzoic acid.
General Description4-Hydrazinobenzoic acid (p-Hydrazinobenzoic acid, HBA) has been reported as an ingredient of the cultivated mushroom Agaricus bisporus. It is carcinogenic to rodents. Mechanism of DNA damage by 4-hydrazinobenzoic acid has been studied by using 32P-labeled DNA fragments obtained from the human p53 and p16 tumor suppressor genes. It may be used for the preparation of 4-(3-(2-(tert-butoxycarbonylamino)ethyl)-5-hydroxy-1H-pyrazol-1-yl)benzoic acid.
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
Related reactions
5 records
Compound notes
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