Benzoicacid, 4-amino-3-cyano- supplier

Name
BENZOIC ACID, 4-AMINO-3-CYANO-
EINECS
CAS No. 74192-47-5
Article Data1
CAS DataBase
Density 1.417 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O₂
Boiling Point 404.008 °C at 760 mmHg
Molecular Weight 162.148
Flash Point 198.137 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid,4-amino-3-cyano;4-amino-3-cyano-benzoic acid;4-azanyl-3-cyano-benzoic acid;
PSA 87.11000
LogP 1.41988

Benzoicacid, 4-amino-3-cyano- Specification

The Benzoicacid, 4-amino-3-cyano- has CAS registry number 74192-47-5. This chemical's molecular formula is C₈H₆N₂O₂ and molecular weight is 162.147. What's more, its systematic name is 4-Amino-3-cyanobenzoic acid.

Physical properties about the Benzoicacid, 4-amino-3-cyano- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 87.11 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 41.214 cm³; (15)Molar Volume: 114.416 cm³; (16)Surface Tension: 79.304 dyne/cm; (17)Density: 1.417 g/cm³; (18)Flash Point: 198.137 °C; (19)Enthalpy of Vaporization: 69.111 kJ/mol; (20)Boiling Point: 404.008 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(ccc1N)C(=O)O
(2) InChI: InChI=1/C8H6N2O2/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3H,10H2,(H,11,12)
(3) InChIKey: SCDUHKOJSMYVPO-UHFFFAOYAO

Product Name

BENZOIC ACID, 4-AMINO-3-CYANO-

Benzoicacid, 4-amino-3-cyano- Specification

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