| Identification | More | [Name]
3-Cyanobenzoic acid | [CAS]
1877-72-1 | [Synonyms]
3-CARBOXYBENZONITRILE
3-CYANOBENZOIC ACID
ISOPHTHALIC ACID MONONITRILE
M-CYANOBENZOIC ACID
RARECHEM AL BE 0051
Benzoic acid, m-cyano-
m-Carboxybenzonitrile
3-Cyano Benzoic Acid m-Cyano Benzoic Acid
Benzoic acid, 3-cyano-(9CI)
3-CYANOBENZOIC ACID 99+%
3-Cyanobenzoic acid, 98+% | [EINECS(EC#)]
217-511-1 | [Molecular Formula]
C8H5NO2 | [MDL Number]
MFCD00002486 | [Molecular Weight]
147.13 | [MOL File]
1877-72-1.mol |
| Chemical Properties | Back Directory | [Appearance]
White Powder | [Melting point ]
220-224 °C (lit.) | [Boiling point ]
267.22°C (rough estimate) | [density ]
1.3067 (rough estimate) | [refractive index ]
1.4700 (estimate) | [storage temp. ]
Store at RT. | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Powder | [pka]
3.60(at 25℃) | [color ]
White to almost white | [BRN ]
1862566 | [InChIKey]
GYLKKXHEIIFTJH-UHFFFAOYSA-N | [CAS DataBase Reference]
1877-72-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 3-cyano-(1877-72-1) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S22:Do not breathe dust . | [RIDADR ]
3439 | [WGK Germany ]
3
| [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
White Powder | [Uses]
3-Cyanobenzoic acid was used in the preparation of new Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers via in situ [2+3] cycloaddition reactions with NaN3 in the presence of Zn(II) and/or Co(II) salts under hydrothermal conditions. It was also used in the synthesis of three-dimensional coordination polymer, [Mn3(OH)2Na2(3-cnba)6]n (3-Hcnba = 3-cyanobenzoic acid). | [Synthesis Reference(s)]
Tetrahedron Letters, 29, p. 2589, 1988 DOI: 10.1016/S0040-4039(00)86119-5 |
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