-
Name
4-AMIDINOBENZOIC ACID HCL
- EINECS
- CAS No. 42823-72-3
- Article Data3
- CAS DataBase
- Density
- Solubility
- Melting Point
- Formula C8H9ClN2O2
- Boiling Point 366.5 °C at 760 mmHg
- Molecular Weight 200.625
- Flash Point 175.4 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms Benzoicacid, 4-(aminoiminomethyl)-, monohydrochloride (9CI);4-Amidinobenzoic acidhydrochloride;p-Amidinobenzoic acid hydrochloride;
- PSA 87.17000
- LogP 2.27090
Benzoicacid, 4-(aminoiminomethyl)-, hydrochloride (1:1) Specification
The Benzoicacid, 4-(aminoiminomethyl)-, hydrochloride (1:1), with the CAS registry number 42823-72-3, is also known as 4-Carbamimidoyl-benzoic acid hydrochloride. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Pharmacetical. This chemical's molecular formula is C8H9ClN2O2 and molecular weight is 200.035255. Its IUPAC name is called (4-carboxybenzenecarboximidoyl)azanium chloride.
Physical properties of Benzoicacid, 4-(aminoiminomethyl)-, hydrochloride (1:1): (1)ACD/LogP: 0.76; (2)#H bond acceptors: 4; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 2; (5)Flash Point: 175.4 °C; (6)Enthalpy of Vaporization: 64.66 kJ/mol; (7)Boiling Point: 366.5 °C at 760 mmHg; (8)Vapour Pressure: 5.15E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=N)[NH3+])C(=O)O.[Cl-]
(2)InChI: InChI=1S/C8H8N2O2.ClH/c9-7(10)5-1-3-6(4-2-5)8(11)12;/h1-4H,(H3,9,10)(H,11,12);1H
(3)InChIKey: LWZWTSNXTMLZNG-UHFFFAOYSA-N
Related Products
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- Benzoicacid, 2-bromo-, hydrazide
- Benzoicacid, 2-bromo-3-chloro-
- Benzoicacid, 2-bromo-4-methoxy-
- Benzoicacid, 2-bromo-5-cyano-
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