4-Amidinobenzoic acid hydrochloride

HCID 44890830

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Basic information

CAS: 42823-72-3
Standard SMILES: Cl.N=C(N)c1ccc(C(=O)O)cc1
InChIKey: LWZWTSNXTMLZNG-UHFFFAOYSA-N
Molecular formula: C8H9ClN2O2
Average molar mass: 200.62 g/mol
Monoisotopic mass: 200.0352552

Names & identifiers

Preferred name: 4-Amidinobenzoic acid hydrochloride
IUPAC: 4-carbamimidoylbenzoic acid;hydrochloride
English name: 4-Amidinobenzoic acid HCl
Molecular formula: C8H9ClN2O2
Molecular weight: 200.62

Names & synonyms

4-amidinobenzoic acid hydrochlorideRefChem:517372675-989-04-carbamimidoylbenzoic acid hydrochloride42823-72-34-Carboxybenzamidine hydrochloride4-Carboxybenzamidine HClMFCD002696434-carbamimidoylbenzoic acid;hydrochloride4-Amidinobenzoic acid HCl4-Amidinobenzoic acid hydrochloride 97%SCHEMBL394084

Show more names

4-CARBAMIMIDOYL-BENZOIC ACID HYDROCHLORIDEBenzoic acid, 4-(aminoiminomethyl)-, hydrochloride (1:1)

LWZWTSNXTMLZNG-UHFFFAOYSA-Np-Amidinobenzoic acid hydrochloride4-carbamimidoylbenzoicacidhydrochlorideAKOS022172529AC-6747CS-W005595DS-6529FA67350

Database identifiers

CAS: 42823-72-3
PubChem CID: 44890830
EC Number: 675-989-0

Properties

Computed structural properties

Topological polar surface area: 87.2 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 195

Physicochemical properties

storage temp.: Inert atmosphere,Room Temperature
CAS DataBase Reference: 42823 · 42823-72-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-36-22
Safety Statements: 26 · 26-36/37/39
HS Code: 2916340000 · 2916340000

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.