Basic information
- CAS
42823-46-1- Standard SMILES
Cl.NC(N)=Nc1ccc(C(=O)O)cc1- InChIKey
YETFLAUJROGBMC-UHFFFAOYSA-N- Molecular formula
- C8H10ClN3O2
- Average molar mass
- 215.64 g/mol
- Monoisotopic mass
- 215.0461543
Names & identifiers
- Preferred name
- 4-Guanidinobenzoic acid hydrochloride
- IUPAC
- 4-(diaminomethylideneamino)benzoic acid;hydrochloride
- English name
- 4-Guanidinobenzoic acid hydrochloride
- Molecular formula
- C8H10ClN3O2
- Molecular weight
- 215.64
Names & synonyms
4-Guanidinobenzoic acid hydrochloride42823-46-14-Guanidinobenzoic acid HClEINECS 255-956-3DTXSID40195500NSC 163526RefChem:99070DTXCID10117991255-956-3N-(4-Carboxyphenyl)guanidine hydrochloride4-guanidinobenzoic acid hydrochloride salt4-carbamimidamidobenzoic acid hydrochloride
Show more names
p-Guanidinobenzoic acidp-Guanidinobenzoic acid hydrochloride4-gTIMTEC-BB SBB0033964-Guanidinobenzoic aTaletrectinib Impurity10Nafamostat Impurity 9 HClNafamostat Impurity 6 HCluanidinobenzoic Acid HydrochL
MFCD00040587GBAC4-(diaminomethylideneamino)benzoic acid;hydrochloride4-guanidinobenzoic acid monohydrochlorideSCHEMBL273175Benzoic acid, 4-[(aminoiminomethyl)amino]-, hydrochloride (1:1)AKOS015847066NSC-163526
Database identifiers
- CAS
42823-46-1
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 285 °C · 285 °C (dec.)(lit.)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO,(Slightly) Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- soluble
- BRN
- 3718032 · 3718032
- InChI
- InChI=1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H
- InChIKey
- YETFLAUJROGBMC-UHFFFAOYSA-N
- SMILES
- C1(NC(=N)N)=CC=C(C(=O)O)C=C1.Cl
- CAS DataBase Reference
- 42823 · 42823-46-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 4-guanidinobenzoic acid hydrochloride (EC: 255-956-3)
Benzoic acid, 4-(aminoiminomethyl)amino-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 10
- wgk
- 3
- hs_code
- 29252000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H227
- REACH Registrations
- Active
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Chemistry & industry
Applications
UsesAminobenzoic acid derivatives for treatment of chronic inflammatory diseases
Uses4-Guanidinobenzoic acid hydrochloride may be used in ELISA inhibition assay of mouse antiserum. It may be used in the synthesis of human acrosin inhibitor 4′-acetaminophenyl 4-guanidinobenzoate hydrochloride.2
General Description4-Guanidinobenzoic acid hydrochloride is a guanidine derivative. Quality standard of 4-guanidinobenzoic acid hydrochloride has been investigated.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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