| Identification | More | [Name]
3-Aminobenzonitrile | [CAS]
2237-30-1 | [Synonyms]
3-AMINOBENZONITRIL
3-AMINOBENZONITRILE
3-CYANOANILINE
M-AMINOBENZONITRILE
M-CYANOANILINE
Benzonitrile, m-amino-
m-Anthranilonitrile
3-Aminobenzonitrile
m-Cyanoaniline
3-Amino Benzonitrile m-Amino Benzonitrile
Benzonitrile, 3-amino-
m-amino-benzonitril
3-Cyanophenylamine
3-Aminobenzonitrile ,99% | [EINECS(EC#)]
218-800-5 | [Molecular Formula]
C7H6N2 | [MDL Number]
MFCD00007756 | [Molecular Weight]
118.14 | [MOL File]
2237-30-1.mol |
| Chemical Properties | Back Directory | [Appearance]
BROWN CRYSTALLINE SOLID | [Melting point ]
48-53 °C(lit.) | [Boiling point ]
288-290 °C | [density ]
1.5511 (rough estimate) | [refractive index ]
1.5500 (estimate) | [Fp ]
112 °C
| [solubility ]
soluble in Methanol | [form ]
Crystalline Solid | [pka]
2.75(at 25℃) | [color ]
Brown | [Detection Methods]
GC,NMR | [BRN ]
636498 | [InChI]
InChI=1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2 | [InChIKey]
NJXPYZHXZZCTNI-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=CC(N)=C1 | [CAS DataBase Reference]
2237-30-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzonitrile, 3-amino-(2237-30-1) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332-H317 | [Precautionary statements ]
P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R43:May cause sensitization by skin contact.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
3276 | [WGK Germany ]
3
| [RTECS ]
DI2454000
| [Hazard Note ]
Harmful | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29214200 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Skin Sens. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
BROWN CRYSTALLINE SOLID | [Uses]
3-Aminobenzonitrile was used in the synthesis of series of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles. It was also used in the preparation of highly substituted γ-lactam analogues of a thiazolidinone follicle stimulating hormone receptor agonist. | [General Description]
3-Aminobenzonitrile on condensation reaction with 4-isothiocyanato-4-methyl pentane-2-one gives condensed monocyclic pyrimidine derivatives. | [Synthesis]
Dehydration: In the 1000ml reaction flask with brine-cooled reflux device, add 510g of toluene, 102g of 3-aminobenzamide (0.75mol), raise the temperature to 90-100℃, slowly add 205g of sulfoxide chloride (1.72mol), there is a large amount of off-gas gener |
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