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1877-72-1

1877-72-1 Structure

1877-72-1 Structure
IdentificationMore
[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 PropertiesBack 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.
[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 DataBack 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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium permanganate-->m-Tolunitrile
[Preparation Products]

3-Cyanobenzoyl chloride-->3-Cyanophenyl isocyanate-->Ataluren (PTC124)-->3-Cyanobenzaldehyde-->3-CYANOBENZYL ALCOHOL-->N-(2-aminophenyl)-3-cyanobenzamide-->3-(tert-Butoxycarbonylamino-methyl)-cyclohexanecarboxylic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

m-Cyanobenzoic acid(1877-72-1).msds
Hazard InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

3-Cyanobenzoic acid(1877-72-1)MS
3-Cyanobenzoic acid(1877-72-1)1HNMR
3-Cyanobenzoic acid(1877-72-1)13CNMR
3-Cyanobenzoic acid(1877-72-1)IR1
3-Cyanobenzoic acid(1877-72-1)IR2
3-Cyanobenzoic acid(1877-72-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Cyanobenzoic acid, 98%(1877-72-1)
[Alfa Aesar]

3-Cyanobenzoic acid, 98+%(1877-72-1)
[Sigma Aldrich]

1877-72-1(sigmaaldrich)
[TCI AMERICA]

3-Cyanobenzoic Acid,>98.0%(T)(1877-72-1)
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